5-cyclohexyl-3,3-dimethylpyrrole

C12H19N — CID 101003706

IUPAC5-cyclohexyl-3,3-dimethylpyrrole
SMILESCC1(C)C=NC(C2CCCCC2)=C1
InChIInChI=1S/C12H19N/c1-12(2)8-11(13-9-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKeyBEGFNRZRPNHLFW-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.56
Rot. Bonds1

About 5-cyclohexyl-3,3-dimethylpyrrole

5-cyclohexyl-3,3-dimethylpyrrole (PubChem CID 101003706) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-cyclohexyl-3,3-dimethylpyrrole.

Molecular Properties

Compound Name5-cyclohexyl-3,3-dimethylpyrrole
PubChem CID101003706
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-cyclohexyl-3,3-dimethylpyrrole
SMILESCC1(C)C=NC(C2CCCCC2)=C1
InChIInChI=1S/C12H19N/c1-12(2)8-11(13-9-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKeyBEGFNRZRPNHLFW-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
5-spiro[5.5]undecan-3-yl-3H-pyrrole
CID 58525396
5-(3,3-dimethylbutyl)-3H-pyrrole
CID 58543330
5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole
CID 59152616
5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152617
5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152619
5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-3H-pyrrole
CID 59152622
5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole
CID 59152625
5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-3H-pyrrole
CID 59152627
5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
5-cyclohexyl-2-methyl-3H-pyrrole
CID 59603381
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3,3-dimethylpyrrole?
The IUPAC name of 5-cyclohexyl-3,3-dimethylpyrrole (CID 101003706) is 5-cyclohexyl-3,3-dimethylpyrrole.
What is the SMILES notation for 5-cyclohexyl-3,3-dimethylpyrrole?
The canonical SMILES for 5-cyclohexyl-3,3-dimethylpyrrole is CC1(C)C=NC(C2CCCCC2)=C1.
What is the InChIKey of 5-cyclohexyl-3,3-dimethylpyrrole?
The InChIKey is BEGFNRZRPNHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2)8-11(13-9-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-cyclohexyl-3,3-dimethylpyrrole?
5-cyclohexyl-3,3-dimethylpyrrole has a molecular weight of 177.29 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3,3-dimethylpyrrole is sourced from PubChem (CID 101003706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).