1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine

C15H23N — CID 137429264

IUPAC1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine
SMILESC=C/C=C(C)\C=C/C(=C)CCN1CCCC1
InChIInChI=1S/C15H23N/c1-4-7-14(2)8-9-15(3)10-13-16-11-5-6-12-16/h4,7-9H,1,3,5-6,10-13H2,2H3/b9-8-,14-7-
InChIKeyXGWDXZVOYAWBPW-SMXNBUOFSA-N
MW217.36 g/mol
LogP3.72
Rot. Bonds6

About 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine

1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine (PubChem CID 137429264) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine
PubChem CID137429264
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine
SMILESC=C/C=C(C)\C=C/C(=C)CCN1CCCC1
InChIInChI=1S/C15H23N/c1-4-7-14(2)8-9-15(3)10-13-16-11-5-6-12-16/h4,7-9H,1,3,5-6,10-13H2,2H3/b9-8-,14-7-
InChIKeyXGWDXZVOYAWBPW-SMXNBUOFSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine 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 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine?
The IUPAC name of 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine (CID 137429264) is 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine.
What is the SMILES notation for 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine?
The canonical SMILES for 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine is C=C/C=C(C)\C=C/C(=C)CCN1CCCC1.
What is the InChIKey of 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine?
The InChIKey is XGWDXZVOYAWBPW-SMXNBUOFSA-N. The full InChI is InChI=1S/C15H23N/c1-4-7-14(2)8-9-15(3)10-13-16-11-5-6-12-16/h4,7-9H,1,3,5-6,10-13H2,2H3/b9-8-,14-7-.
What are the key properties of 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine?
1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine is sourced from PubChem (CID 137429264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).