2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole

C14H19N — CID 134421514

IUPAC2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole
SMILESC=C(CCC1=CCCC=C1)C1CCC=N1
InChIInChI=1S/C14H19N/c1-12(14-8-5-11-15-14)9-10-13-6-3-2-4-7-13/h3,6-7,11,14H,1-2,4-5,8-10H2
InChIKeyKRCJVOCJCVRVTK-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole

2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole (PubChem CID 134421514) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole
PubChem CID134421514
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole
SMILESC=C(CCC1=CCCC=C1)C1CCC=N1
InChIInChI=1S/C14H19N/c1-12(14-8-5-11-15-14)9-10-13-6-3-2-4-7-13/h3,6-7,11,14H,1-2,4-5,8-10H2
InChIKeyKRCJVOCJCVRVTK-UHFFFAOYSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-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

N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 18293350
3,7,8,8a-Tetrahydroquinoline
CID 57279747
6,7,8,8a-Tetrahydroquinoline
CID 57281165
2,3-dipropyl-2H-pyrrole
CID 89102919
5,6,7,7a-tetrahydro-3H-indole
CID 90965222
N-(2-methylhept-1-en-3-yl)-2-(3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 91161503
4-(2,3,4,5-Tetrahydropyridin-2-yl)-2,5-dihydropyridine
CID 91284564
7,7a-dihydro-3H-indole
CID 91394857
3,4,6,7,8,8a-Hexahydroquinoline
CID 91429706
N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine
CID 123440293
4-propyl-3a,7a-dihydro-3H-indole
CID 123854475
3-(3-cyclohexa-1,5-dien-1-ylpropyl)-5-prop-1-en-2-yl-2H-pyrrole
CID 129214846

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole (CID 134421514) is 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole is C=C(CCC1=CCCC=C1)C1CCC=N1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole?
The InChIKey is KRCJVOCJCVRVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-12(14-8-5-11-15-14)9-10-13-6-3-2-4-7-13/h3,6-7,11,14H,1-2,4-5,8-10H2.
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole?
2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole has a molecular weight of 201.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 134421514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).