5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole

C13H15N — CID 15920833

IUPAC5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole
SMILESC=C1CC2(C3=NCCC3)C=CC=CC12
InChIInChI=1S/C13H15N/c1-10-9-13(12-6-4-8-14-12)7-3-2-5-11(10)13/h2-3,5,7,11H,1,4,6,8-9H2
InChIKeyHRHDRXQHZNFWBL-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.91
Rot. Bonds1

About 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole

5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole (PubChem CID 15920833) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole
PubChem CID15920833
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole
SMILESC=C1CC2(C3=NCCC3)C=CC=CC12
InChIInChI=1S/C13H15N/c1-10-9-13(12-6-4-8-14-12)7-3-2-5-11(10)13/h2-3,5,7,11H,1,4,6,8-9H2
InChIKeyHRHDRXQHZNFWBL-UHFFFAOYSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-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

5-[(1R,6S)-7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl]-3,4-dihydro-2H-pyrrole
CID 15939420
1,2,4,5,6,8b-Hexahydrocyclopenta[e]indole
CID 57292590
2-[(3E)-4,5-dimethylhexa-3,5-dien-2-yl]-5-ethyl-3,3,4,4-tetramethyl-2H-pyrrole
CID 88589153
10-Azatetracyclo[7.6.1.01,11.05,16]hexadeca-2,5,7,10,14-pentaene
CID 123480096
(4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine
CID 123782843
3-(2-propan-2-ylbut-3-enyl)-5-(4-propylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrole
CID 134591386
5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride
CID 141476475
6-[(3E,5Z)-2-methyl-3-prop-1-en-2-ylhepta-3,5-dien-2-yl]-2,3,4,5-tetrahydropyridine
CID 145552043
5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-3-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 169812147
3-(Cyclohexa-1,3-dien-1-ylmethyl)-5-ethyl-3-(2-methylpropyl)-2,4-dihydropyrrole
CID 170215521
2-(4,5-dimethylhexa-3,5-dien-2-yl)-5-ethyl-3,3,4,4-tetramethyl-2H-pyrrole
CID 60030188
5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole
CID 141476476

Frequently Asked Questions

What is the IUPAC name of 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole (CID 15920833) is 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole is C=C1CC2(C3=NCCC3)C=CC=CC12.
What is the InChIKey of 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is HRHDRXQHZNFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-9-13(12-6-4-8-14-12)7-3-2-5-11(10)13/h2-3,5,7,11H,1,4,6,8-9H2.
What are the key properties of 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole?
5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 185.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 15920833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).