5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole

C11H15N — CID 59152616

IUPAC5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole
SMILESC1=CC(CC2=CCC=N2)CCC1
InChIInChI=1S/C11H15N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h2,5,7-8,10H,1,3-4,6,9H2
InChIKeyODYSFQVWLNLCGC-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.09
Rot. Bonds2

About 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole

5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole (PubChem CID 59152616) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole.

Molecular Properties

Compound Name5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole
PubChem CID59152616
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole
SMILESC1=CC(CC2=CCC=N2)CCC1
InChIInChI=1S/C11H15N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h2,5,7-8,10H,1,3-4,6,9H2
InChIKeyODYSFQVWLNLCGC-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.09
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

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CID 53805936
3a,6,7,7a-tetrahydro-1H-isoindole
CID 57114703
3,3a,6,7-tetrahydro-2H-indole
CID 57133551
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
5-(3-methylbutyl)-3H-pyrrole
CID 58324839
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-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole
CID 59152625
5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole?
The IUPAC name of 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole (CID 59152616) is 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole.
What is the SMILES notation for 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole?
The canonical SMILES for 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole is C1=CC(CC2=CCC=N2)CCC1.
What is the InChIKey of 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole?
The InChIKey is ODYSFQVWLNLCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h2,5,7-8,10H,1,3-4,6,9H2.
What are the key properties of 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole?
5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole has a molecular weight of 161.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole is sourced from PubChem (CID 59152616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).