1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene

C37H54N2O2S — CID 157392525

IUPAC1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene
SMILESCC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1
InChIInChI=1S/C8H13N.C8H11N.2C7H10O.C7H10S/c1-7(2)8-5-4-6-9(8)3;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7/h4-7H,1-3H3;3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyBMEDBIPRVMYWDX-UHFFFAOYSA-N
MW590.92 g/mol
LogP12.03
Rot. Bonds5

About 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene

1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene (PubChem CID 157392525) has the molecular formula C37H54N2O2S and a molecular weight of 590.92 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene
PubChem CID157392525
Molecular FormulaC37H54N2O2S
Molecular Weight590.92 g/mol
Exact Mass590.39
IUPAC Name1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene
SMILESCC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1
InChIInChI=1S/C8H13N.C8H11N.2C7H10O.C7H10S/c1-7(2)8-5-4-6-9(8)3;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7/h4-7H,1-3H3;3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyBMEDBIPRVMYWDX-UHFFFAOYSA-N
XLogP12.03
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.92
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene with MolForge

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Related Compounds

4-Furan-2-yl-2-((E)-2-furan-2-yl-vinyl)-6-thiophen-2-yl-pyridine
CID 10064551
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
CID 16654946
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224809
4-(Furan-2-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 46224849
4-(Furan-2-yl)-2,6-di(thiophen-3-yl)pyridine
CID 46224851
4-(Furan-2-yl)-2,6-bis(3-methylthiophen-2-yl)pyridine
CID 46224888
2-(2,5-Dimethylthiophen-3-yl)-4-(5-methylfuran-2-yl)-6-thiophen-2-ylpyridine
CID 46224890

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene?
The IUPAC name of 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene (CID 157392525) is 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene.
What is the SMILES notation for 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene?
The canonical SMILES for 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene is CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.
What is the InChIKey of 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene?
The InChIKey is BMEDBIPRVMYWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C8H11N.2C7H10O.C7H10S/c1-7(2)8-5-4-6-9(8)3;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7/h4-7H,1-3H3;3-7H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene?
1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene has a molecular weight of 590.92 g/mol, XLogP of 12.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene is sourced from PubChem (CID 157392525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).