3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole

C137H220N10O6 — CID 158144599

IUPAC3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccco1.CC(C)c1ccn(C)c1.Cc1[nH]ccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1c(C(C)C)cn(C)c1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)cn1C.Cc1cc(C)c(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccoc1C(C)C.Cc1cn(C)c(C)c1C(C)C.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)C)c1.Cc1coc(C(C)C)c1C
InChIInChI=1S/3C10H17N.3C9H15N.2C9H14O.3C8H13N.3C8H12O.C7H11N.C7H10O/c1-7(2)10-6-11(5)9(4)8(10)3;1-7(2)10-8(3)6-11(5)9(10)4;1-7(2)10-6-8(3)11(5)9(10)4;1-7(2)9-6-10(4)5-8(9)3;1-7(2)9-5-8(3)10(4)6-9;1-7(2)9-5-6-10(4)8(9)3;1-6(2)9-8(4)7(3)5-10-9;1-6(2)9-7(3)5-8(4)10-9;1-6(2)8-4-7(3)9-5-8;1-7(2)8-4-5-9(3)6-8;1-6(2)8-4-5-9-7(8)3;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3*6-7H,1-5H3;3*5-7H,1-4H3;2*5-6H,1-4H3;4-6,9H,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;3*4-6H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3
InChIKeyFUIZQGYBCGALCY-UHFFFAOYSA-N
MW2103.33 g/mol
LogP41.42
Rot. Bonds16

About 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole

3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole (PubChem CID 158144599) has the molecular formula C137H220N10O6 and a molecular weight of 2103.33 g/mol. Its IUPAC name is 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole.

Molecular Properties

Compound Name3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole
PubChem CID158144599
Molecular FormulaC137H220N10O6
Molecular Weight2103.33 g/mol
Exact Mass2101.72
IUPAC Name3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccco1.CC(C)c1ccn(C)c1.Cc1[nH]ccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1c(C(C)C)cn(C)c1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)cn1C.Cc1cc(C)c(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccoc1C(C)C.Cc1cn(C)c(C)c1C(C)C.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)C)c1.Cc1coc(C(C)C)c1C
InChIInChI=1S/3C10H17N.3C9H15N.2C9H14O.3C8H13N.3C8H12O.C7H11N.C7H10O/c1-7(2)10-6-11(5)9(4)8(10)3;1-7(2)10-8(3)6-11(5)9(10)4;1-7(2)10-6-8(3)11(5)9(10)4;1-7(2)9-6-10(4)5-8(9)3;1-7(2)9-5-8(3)10(4)6-9;1-7(2)9-5-6-10(4)8(9)3;1-6(2)9-8(4)7(3)5-10-9;1-6(2)9-7(3)5-8(4)10-9;1-6(2)8-4-7(3)9-5-8;1-7(2)8-4-5-9(3)6-8;1-6(2)8-4-5-9-7(8)3;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3*6-7H,1-5H3;3*5-7H,1-4H3;2*5-6H,1-4H3;4-6,9H,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;3*4-6H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3
InChIKeyFUIZQGYBCGALCY-UHFFFAOYSA-N
XLogP41.42
TPSA160.72 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002103.33
LogP ≤ 541.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole?
The IUPAC name of 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole (CID 158144599) is 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole.
What is the SMILES notation for 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole?
The canonical SMILES for 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole is CC(C)c1cc[nH]c1.CC(C)c1ccco1.CC(C)c1ccn(C)c1.Cc1[nH]ccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1c(C(C)C)cn(C)c1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)cn1C.Cc1cc(C)c(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccoc1C(C)C.Cc1cn(C)c(C)c1C(C)C.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)C)c1.Cc1coc(C(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole?
The InChIKey is FUIZQGYBCGALCY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H17N.3C9H15N.2C9H14O.3C8H13N.3C8H12O.C7H11N.C7H10O/c1-7(2)10-6-11(5)9(4)8(10)3;1-7(2)10-8(3)6-11(5)9(10)4;1-7(2)10-6-8(3)11(5)9(10)4;1-7(2)9-6-10(4)5-8(9)3;1-7(2)9-5-8(3)10(4)6-9;1-7(2)9-5-6-10(4)8(9)3;1-6(2)9-8(4)7(3)5-10-9;1-6(2)9-7(3)5-8(4)10-9;1-6(2)8-4-7(3)9-5-8;1-7(2)8-4-5-9(3)6-8;1-6(2)8-4-5-9-7(8)3;1-6(2)8-4-7(3)5-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3*6-7H,1-5H3;3*5-7H,1-4H3;2*5-6H,1-4H3;4-6,9H,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;3*4-6H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3.
What are the key properties of 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole?
3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole has a molecular weight of 2103.33 g/mol, XLogP of 41.42, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-propan-2-ylfuran;3,5-dimethyl-2-propan-2-ylfuran;1,2-dimethyl-3-propan-2-ylpyrrole;1,2-dimethyl-4-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrrole;2-methyl-3-propan-2-yl-1H-pyrrole;2-methyl-4-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,2,3-trimethyl-4-propan-2-ylpyrrole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole is sourced from PubChem (CID 158144599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).