5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole

C10H17N — CID 10057693

IUPAC5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)=CCCC1=NCCC1
InChIInChI=1S/C10H17N/c1-9(2)5-3-6-10-7-4-8-11-10/h5H,3-4,6-8H2,1-2H3
InChIKeyGEQIGSOKBWEGFE-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds3

About 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole

5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole (PubChem CID 10057693) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
PubChem CID10057693
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)=CCCC1=NCCC1
InChIInChI=1S/C10H17N/c1-9(2)5-3-6-10-7-4-8-11-10/h5H,3-4,6-8H2,1-2H3
InChIKeyGEQIGSOKBWEGFE-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(4-methylpent-3-enyl)-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

Lanopylin B1
CID 10087332
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
Lanopylin B2
CID 11279421
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
Koreenceine A
CID 146683591
5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518
Azabicyclononene
CID 67125311
Azabi-cyclooctene
CID 67389294
Azabicyclohexene
CID 67825525
Azabicycloheptene
CID 68526712
5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-propyl-2H-pyrrole
CID 170067974
1-(cyclohexen-1-yl)-N-cyclohexylethanimine
CID 11148422

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole (CID 10057693) is 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole is CC(C)=CCCC1=NCCC1.
What is the InChIKey of 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is GEQIGSOKBWEGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2)5-3-6-10-7-4-8-11-10/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole?
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 10057693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).