2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C15H25N — CID 174284905

IUPAC2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC=C/C=C(\C)C(C)CN1CC2CCCC2C1
InChIInChI=1S/C15H25N/c1-4-6-12(2)13(3)9-16-10-14-7-5-8-15(14)11-16/h4,6,13-15H,1,5,7-11H2,2-3H3/b12-6+
InChIKeyXWRAYDFQXQVZOE-WUXMJOGZSA-N
MW219.37 g/mol
LogP3.49
Rot. Bonds4

About 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 174284905) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID174284905
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC=C/C=C(\C)C(C)CN1CC2CCCC2C1
InChIInChI=1S/C15H25N/c1-4-6-12(2)13(3)9-16-10-14-7-5-8-15(14)11-16/h4,6,13-15H,1,5,7-11H2,2-3H3/b12-6+
InChIKeyXWRAYDFQXQVZOE-WUXMJOGZSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]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-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 174284905) is 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is C=C/C=C(\C)C(C)CN1CC2CCCC2C1.
What is the InChIKey of 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is XWRAYDFQXQVZOE-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-12(2)13(3)9-16-10-14-7-5-8-15(14)11-16/h4,6,13-15H,1,5,7-11H2,2-3H3/b12-6+.
What are the key properties of 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 219.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-2,3-dimethylhexa-3,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 174284905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).