5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole

C12H17N — CID 59152617

IUPAC5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
SMILESCC1C=CC(CC2=CCC=N2)CC1
InChIInChI=1S/C12H17N/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h3-4,6,8,10-11H,2,5,7,9H2,1H3
InChIKeyJDQXVTGMCVUCSR-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.34
Rot. Bonds2

About 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole

5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole (PubChem CID 59152617) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole.

Molecular Properties

Compound Name5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
PubChem CID59152617
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
SMILESCC1C=CC(CC2=CCC=N2)CC1
InChIInChI=1S/C12H17N/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h3-4,6,8,10-11H,2,5,7,9H2,1H3
InChIKeyJDQXVTGMCVUCSR-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3-Fluorohexa-1,5-dien-3-yl)-6-methyl-3,4-dihydropyridine
CID 144727290
3,4,5,5a,6,7-Hexahydrocyclopenta[b]azepine
CID 129873648
N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
5-(3-methylbutyl)-3H-pyrrole
CID 58324839
5-spiro[5.5]undecan-3-yl-3H-pyrrole
CID 58525396
5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole
CID 59152616
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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole?
The IUPAC name of 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole (CID 59152617) is 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole.
What is the SMILES notation for 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole?
The canonical SMILES for 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole is CC1C=CC(CC2=CCC=N2)CC1.
What is the InChIKey of 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole?
The InChIKey is JDQXVTGMCVUCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h3-4,6,8,10-11H,2,5,7,9H2,1H3.
What are the key properties of 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole?
5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole has a molecular weight of 175.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole is sourced from PubChem (CID 59152617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).