(Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine

C20H30N2 — CID 126589842

IUPAC(Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine
SMILES[H]/N=C(C)/C(CC(=C)C)=C(/C)C(=C)C/C=C1/CCN/C1=C/CC
InChIInChI=1S/C20H30N2/c1-7-8-20-18(11-12-22-20)10-9-15(4)16(5)19(17(6)21)13-14(2)3/h8,10,21-22H,2,4,7,9,11-13H2,1,3,5-6H3/b18-10-,19-16-,20-8+,21-17+
InChIKeyXNJFDZXFGBVCBE-VPJUHQJQSA-N
MW298.47 g/mol
LogP5.47
Rot. Bonds7

About (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine

(Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine (PubChem CID 126589842) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine.

Molecular Properties

Compound Name(Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine
PubChem CID126589842
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine
SMILES[H]/N=C(C)/C(CC(=C)C)=C(/C)C(=C)C/C=C1/CCN/C1=C/CC
InChIInChI=1S/C20H30N2/c1-7-8-20-18(11-12-22-20)10-9-15(4)16(5)19(17(6)21)13-14(2)3/h8,10,21-22H,2,4,7,9,11-13H2,1,3,5-6H3/b18-10-,19-16-,20-8+,21-17+
InChIKeyXNJFDZXFGBVCBE-VPJUHQJQSA-N
XLogP5.47
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine 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,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine?
The IUPAC name of (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine (CID 126589842) is (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine.
What is the SMILES notation for (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine?
The canonical SMILES for (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine is [H]/N=C(C)/C(CC(=C)C)=C(/C)C(=C)C/C=C1/CCN/C1=C/CC.
What is the InChIKey of (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine?
The InChIKey is XNJFDZXFGBVCBE-VPJUHQJQSA-N. The full InChI is InChI=1S/C20H30N2/c1-7-8-20-18(11-12-22-20)10-9-15(4)16(5)19(17(6)21)13-14(2)3/h8,10,21-22H,2,4,7,9,11-13H2,1,3,5-6H3/b18-10-,19-16-,20-8+,21-17+.
What are the key properties of (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine?
(Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine has a molecular weight of 298.47 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7Z)-4-methyl-5-methylidene-3-(2-methylprop-2-enyl)-7-[(2E)-2-propylidenepyrrolidin-3-ylidene]hept-3-en-2-imine is sourced from PubChem (CID 126589842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).