1-(4-methylcyclohexyl)pyrrole

C11H17N — CID 2100892

IUPAC1-(4-methylcyclohexyl)pyrrole
SMILESCC1CCC(n2cccc2)CC1
InChIInChI=1S/C11H17N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-3,8-11H,4-7H2,1H3
InChIKeyKXYVVUQWOPPZBW-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.24
Rot. Bonds1

About 1-(4-methylcyclohexyl)pyrrole

1-(4-methylcyclohexyl)pyrrole (PubChem CID 2100892) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)pyrrole.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)pyrrole
PubChem CID2100892
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(4-methylcyclohexyl)pyrrole
SMILESCC1CCC(n2cccc2)CC1
InChIInChI=1S/C11H17N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-3,8-11H,4-7H2,1H3
InChIKeyKXYVVUQWOPPZBW-UHFFFAOYSA-N
XLogP3.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutylpyrrole
CID 62414622
1-(3,5-dimethylcyclohexyl)pyrrole
CID 64729748
3-pyrrol-1-ylcyclopentan-1-amine
CID 82417438
1-(4-methylcyclohexyl)pyrrole-3-carbaldehyde
CID 28689574
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane
CID 91398120
N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
CID 95151166
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1-[(1R,2S)-2-methylcyclopentyl]pyrrole
CID 121227210
1-[(1S,2R)-2-methylcyclopentyl]pyrrole
CID 131858796
1-[(1S,3R)-3-(2-methylphenyl)cyclopentyl]pyrrole
CID 141383259
1,4-dimethylcyclohexane;methanol
CID 70358527
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)pyrrole?
The IUPAC name of 1-(4-methylcyclohexyl)pyrrole (CID 2100892) is 1-(4-methylcyclohexyl)pyrrole.
What is the SMILES notation for 1-(4-methylcyclohexyl)pyrrole?
The canonical SMILES for 1-(4-methylcyclohexyl)pyrrole is CC1CCC(n2cccc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)pyrrole?
The InChIKey is KXYVVUQWOPPZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)pyrrole?
1-(4-methylcyclohexyl)pyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)pyrrole is sourced from PubChem (CID 2100892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).