3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole

C7H11N — CID 123846886

IUPAC3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1CN=CC1C
InChIInChI=1S/C7H11N/c1-3-7-5-8-4-6(7)2/h3-4,6-7H,1,5H2,2H3
InChIKeyIXEJLSFUKPMWFM-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.51
Rot. Bonds1

About 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole

3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 123846886) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole
PubChem CID123846886
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1CN=CC1C
InChIInChI=1S/C7H11N/c1-3-7-5-8-4-6(7)2/h3-4,6-7H,1,5H2,2H3
InChIKeyIXEJLSFUKPMWFM-UHFFFAOYSA-N
XLogP1.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
3,4-Dimethyl-3,4-dihydropyridine
CID 22965950
3-propan-2-yl-3H-pyrrole
CID 59104305
(3R,4R)-3,4-dimethyl-3,4-dihydropyridine
CID 59584680
(3S)-3,4-dimethyl-3,4-dihydropyridine
CID 89385262
3-ethenyl-3,4-dihydro-2H-pyrrole
CID 91530232
3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole
CID 123260408
N,2-dimethylpent-4-en-1-imine
CID 123377717
N-(2-methylbutyl)hex-5-en-1-imine
CID 123382083
2-ethyl-N-methylpent-4-en-1-imine
CID 123486283
2-Cycloprop-2-en-1-ylpropylidene(methylidene)azanium
CID 123808278
4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole
CID 139296202

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole (CID 123846886) is 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole is C=CC1CN=CC1C.
What is the InChIKey of 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is IXEJLSFUKPMWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-5-8-4-6(7)2/h3-4,6-7H,1,5H2,2H3.
What are the key properties of 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole?
3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 123846886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).