2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole

C11H15N — CID 174243254

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole
SMILESC=C/C=C\C=C(/C)C1CCC=N1
InChIInChI=1S/C11H15N/c1-3-4-5-7-10(2)11-8-6-9-12-11/h3-5,7,9,11H,1,6,8H2,2H3/b5-4-,10-7+
InChIKeyXZHKGLCNFKYHEP-DOIONKORSA-N
MW161.25 g/mol
LogP2.91
Rot. Bonds3

About 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole

2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole (PubChem CID 174243254) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole
PubChem CID174243254
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole
SMILESC=C/C=C\C=C(/C)C1CCC=N1
InChIInChI=1S/C11H15N/c1-3-4-5-7-10(2)11-8-6-9-12-11/h3-5,7,9,11H,1,6,8H2,2H3/b5-4-,10-7+
InChIKeyXZHKGLCNFKYHEP-DOIONKORSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2E,4Z)-hepta-2,4,6-trien-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole (CID 174243254) is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole is C=C/C=C\C=C(/C)C1CCC=N1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole?
The InChIKey is XZHKGLCNFKYHEP-DOIONKORSA-N. The full InChI is InChI=1S/C11H15N/c1-3-4-5-7-10(2)11-8-6-9-12-11/h3-5,7,9,11H,1,6,8H2,2H3/b5-4-,10-7+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole?
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole has a molecular weight of 161.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 174243254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).