(Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine

C15H23NO — CID 146489352

IUPAC(Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine
SMILESC=C/C=C(CN)/C(=C/OC)C(=C)CC/C=C\C
InChIInChI=1S/C15H23NO/c1-5-7-8-10-13(3)15(12-17-4)14(11-16)9-6-2/h5-7,9,12H,2-3,8,10-11,16H2,1,4H3/b7-5-,14-9+,15-12+
InChIKeyPFQPSIMWBOWFJL-NVLAFLFVSA-N
MW233.35 g/mol
LogP3.50
Rot. Bonds8

About (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine

(Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine (PubChem CID 146489352) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine.

Molecular Properties

Compound Name(Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine
PubChem CID146489352
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine
SMILESC=C/C=C(CN)/C(=C/OC)C(=C)CC/C=C\C
InChIInChI=1S/C15H23NO/c1-5-7-8-10-13(3)15(12-17-4)14(11-16)9-6-2/h5-7,9,12H,2-3,8,10-11,16H2,1,4H3/b7-5-,14-9+,15-12+
InChIKeyPFQPSIMWBOWFJL-NVLAFLFVSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine 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 (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine?
The IUPAC name of (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine (CID 146489352) is (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine.
What is the SMILES notation for (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine?
The canonical SMILES for (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine is C=C/C=C(CN)/C(=C/OC)C(=C)CC/C=C\C.
What is the InChIKey of (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine?
The InChIKey is PFQPSIMWBOWFJL-NVLAFLFVSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-7-8-10-13(3)15(12-17-4)14(11-16)9-6-2/h5-7,9,12H,2-3,8,10-11,16H2,1,4H3/b7-5-,14-9+,15-12+.
What are the key properties of (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine?
(Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine is sourced from PubChem (CID 146489352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).