5-cyclohexyl-3-methyl-2H-pyrrole

C11H17N — CID 59087183

IUPAC5-cyclohexyl-3-methyl-2H-pyrrole
SMILESCC1=CC(C2CCCCC2)=NC1
InChIInChI=1S/C11H17N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyRWEBIGJRJOWVTC-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds1

About 5-cyclohexyl-3-methyl-2H-pyrrole

5-cyclohexyl-3-methyl-2H-pyrrole (PubChem CID 59087183) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-cyclohexyl-3-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-cyclohexyl-3-methyl-2H-pyrrole
PubChem CID59087183
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-cyclohexyl-3-methyl-2H-pyrrole
SMILESCC1=CC(C2CCCCC2)=NC1
InChIInChI=1S/C11H17N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyRWEBIGJRJOWVTC-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
CID 170294076
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
3-Azatricyclo[5.2.2.02,6]undeca-2,5,8-triene
CID 12134565
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-methyl-2H-pyrrole?
The IUPAC name of 5-cyclohexyl-3-methyl-2H-pyrrole (CID 59087183) is 5-cyclohexyl-3-methyl-2H-pyrrole.
What is the SMILES notation for 5-cyclohexyl-3-methyl-2H-pyrrole?
The canonical SMILES for 5-cyclohexyl-3-methyl-2H-pyrrole is CC1=CC(C2CCCCC2)=NC1.
What is the InChIKey of 5-cyclohexyl-3-methyl-2H-pyrrole?
The InChIKey is RWEBIGJRJOWVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3.
What are the key properties of 5-cyclohexyl-3-methyl-2H-pyrrole?
5-cyclohexyl-3-methyl-2H-pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-methyl-2H-pyrrole is sourced from PubChem (CID 59087183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).