(7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine

C12H19N — CID 143316591

IUPAC(7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine
SMILESC=C(C/C=C\C)/C(C=C(C)C)=N/C
InChIInChI=1S/C12H19N/c1-6-7-8-11(4)12(13-5)9-10(2)3/h6-7,9H,4,8H2,1-3,5H3/b7-6-,13-12+
InChIKeyBZMBAWVEEJIXAQ-NQFDUOLLSA-N
MW177.29 g/mol
LogP3.55
Rot. Bonds4

About (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine

(7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine (PubChem CID 143316591) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine.

Molecular Properties

Compound Name(7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine
PubChem CID143316591
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine
SMILESC=C(C/C=C\C)/C(C=C(C)C)=N/C
InChIInChI=1S/C12H19N/c1-6-7-8-11(4)12(13-5)9-10(2)3/h6-7,9H,4,8H2,1-3,5H3/b7-6-,13-12+
InChIKeyBZMBAWVEEJIXAQ-NQFDUOLLSA-N
XLogP3.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine?
The IUPAC name of (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine (CID 143316591) is (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine.
What is the SMILES notation for (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine?
The canonical SMILES for (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine is C=C(C/C=C\C)/C(C=C(C)C)=N/C.
What is the InChIKey of (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine?
The InChIKey is BZMBAWVEEJIXAQ-NQFDUOLLSA-N. The full InChI is InChI=1S/C12H19N/c1-6-7-8-11(4)12(13-5)9-10(2)3/h6-7,9H,4,8H2,1-3,5H3/b7-6-,13-12+.
What are the key properties of (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine?
(7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine has a molecular weight of 177.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-N,2-dimethyl-5-methylidenenona-2,7-dien-4-imine is sourced from PubChem (CID 143316591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).