1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine

C18H31NO — CID 129295757

IUPAC1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
SMILESC=C(/C=C\C(=C/C)OCCCC)CCCN1CCCC1
InChIInChI=1S/C18H31NO/c1-4-6-16-20-18(5-2)12-11-17(3)10-9-15-19-13-7-8-14-19/h5,11-12H,3-4,6-10,13-16H2,1-2H3/b12-11-,18-5+
InChIKeyOLPJZSHGUYSIEG-LVCHWIMMSA-N
MW277.45 g/mol
LogP4.70
Rot. Bonds10

About 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine

1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine (PubChem CID 129295757) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
PubChem CID129295757
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
SMILESC=C(/C=C\C(=C/C)OCCCC)CCCN1CCCC1
InChIInChI=1S/C18H31NO/c1-4-6-16-20-18(5-2)12-11-17(3)10-9-15-19-13-7-8-14-19/h5,11-12H,3-4,6-10,13-16H2,1-2H3/b12-11-,18-5+
InChIKeyOLPJZSHGUYSIEG-LVCHWIMMSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]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-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine?
The IUPAC name of 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine (CID 129295757) is 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine?
The canonical SMILES for 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine is C=C(/C=C\C(=C/C)OCCCC)CCCN1CCCC1.
What is the InChIKey of 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine?
The InChIKey is OLPJZSHGUYSIEG-LVCHWIMMSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-6-16-20-18(5-2)12-11-17(3)10-9-15-19-13-7-8-14-19/h5,11-12H,3-4,6-10,13-16H2,1-2H3/b12-11-,18-5+.
What are the key properties of 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine?
1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine has a molecular weight of 277.45 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine is sourced from PubChem (CID 129295757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).