1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole

C154H260N8O2S3 — CID 161099145

IUPAC1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole
SMILESCC(C)C1=CCC(C(C)C)=C1.CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCC[C@@H](C(C)C)C1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(Cc2ccccc2)c1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1ncsc1C(C)C
InChIInChI=1S/C17H23N.3C12H24.C11H19N.2C11H17N.C11H18.C10H17N.2C10H16O.3C9H15NS/c1-13(2)16-10-17(14(3)4)18(12-16)11-15-8-6-5-7-9-15;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-11(9(3)4)12(5)7-10;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h5-10,12-14H,11H2,1-4H3;3*9-12H,5-8H2,1-4H3;6-9H,1-5H3;2*5-9H,1-4H3;5,7-9H,6H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3/t;;;11-,12?;;;;;;;;;;/m...1........../s1
InChIKeyUIETYCOCUBOPIF-LQGVMQDISA-N
MW2352.03 g/mol
LogP51.00
Rot. Bonds30

About 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole

1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole (PubChem CID 161099145) has the molecular formula C154H260N8O2S3 and a molecular weight of 2352.03 g/mol. Its IUPAC name is 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole
PubChem CID161099145
Molecular FormulaC154H260N8O2S3
Molecular Weight2352.03 g/mol
Exact Mass2349.97
IUPAC Name1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole
SMILESCC(C)C1=CCC(C(C)C)=C1.CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCC[C@@H](C(C)C)C1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(Cc2ccccc2)c1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1ncsc1C(C)C
InChIInChI=1S/C17H23N.3C12H24.C11H19N.2C11H17N.C11H18.C10H17N.2C10H16O.3C9H15NS/c1-13(2)16-10-17(14(3)4)18(12-16)11-15-8-6-5-7-9-15;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-11(9(3)4)12(5)7-10;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h5-10,12-14H,11H2,1-4H3;3*9-12H,5-8H2,1-4H3;6-9H,1-5H3;2*5-9H,1-4H3;5,7-9H,6H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3/t;;;11-,12?;;;;;;;;;;/m...1........../s1
InChIKeyUIETYCOCUBOPIF-LQGVMQDISA-N
XLogP51.00
TPSA105.52 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002352.03
LogP ≤ 551.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole?
The IUPAC name of 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole (CID 161099145) is 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole.
What is the SMILES notation for 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole?
The canonical SMILES for 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole is CC(C)C1=CCC(C(C)C)=C1.CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCC[C@@H](C(C)C)C1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(Cc2ccccc2)c1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1ncsc1C(C)C.
What is the InChIKey of 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole?
The InChIKey is UIETYCOCUBOPIF-LQGVMQDISA-N. The full InChI is InChI=1S/C17H23N.3C12H24.C11H19N.2C11H17N.C11H18.C10H17N.2C10H16O.3C9H15NS/c1-13(2)16-10-17(14(3)4)18(12-16)11-15-8-6-5-7-9-15;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-11(9(3)4)12(5)7-10;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h5-10,12-14H,11H2,1-4H3;3*9-12H,5-8H2,1-4H3;6-9H,1-5H3;2*5-9H,1-4H3;5,7-9H,6H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3/t;;;11-,12?;;;;;;;;;;/m...1........../s1.
What are the key properties of 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole?
1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole has a molecular weight of 2352.03 g/mol, XLogP of 51.00, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4-di(propan-2-yl)pyrrole;cis-(1R,3S)-1,3-di(propan-2-yl)cyclohexane;bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)cyclopenta-1,3-diene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)pyrrole is sourced from PubChem (CID 161099145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).