(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one

C13H21NO — CID 91262997

IUPAC(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one
SMILES[H]/N=C(\C=C/CC)C(=C\C)/C(=O)C(C)CC
InChIInChI=1S/C13H21NO/c1-5-8-9-12(14)11(7-3)13(15)10(4)6-2/h7-10,14H,5-6H2,1-4H3/b9-8-,11-7+,14-12+
InChIKeyJYUWSGOOGJTGOF-WTMWUYOCSA-N
MW207.32 g/mol
LogP3.53
Rot. Bonds6

About (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one

(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one (PubChem CID 91262997) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one.

Molecular Properties

Compound Name(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one
PubChem CID91262997
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one
SMILES[H]/N=C(\C=C/CC)C(=C\C)/C(=O)C(C)CC
InChIInChI=1S/C13H21NO/c1-5-8-9-12(14)11(7-3)13(15)10(4)6-2/h7-10,14H,5-6H2,1-4H3/b9-8-,11-7+,14-12+
InChIKeyJYUWSGOOGJTGOF-WTMWUYOCSA-N
XLogP3.53
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Dimethyl-1,4-benzoquinonimine
CID 129743105
2,6-Diisopropyl-4-iminocyclohexa-2,5-dien-1-one
CID 129747366
4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
2,6-Di-tert-butyl-4-iminocyclohexa-2,5-dien-1-one
CID 12561859
4,6-Diimino-3,5-dimethylcyclohex-2-en-1-one
CID 57207871
3-Butyl-4-iminocyclohexa-2,5-dien-1-one
CID 70560901
2,4-Ditert-butyl-6-iminocyclohexa-2,4-dien-1-one
CID 85557317
1-(5-Imino-3-methylcyclohepta-1,6-dien-1-yl)ethanone
CID 90855946
2-Imino-6-methyldec-8-en-3-one
CID 90885707
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
(E)-2-imino-4-propan-2-yloct-4-en-3-one
CID 91087920
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880

Frequently Asked Questions

What is the IUPAC name of (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one?
The IUPAC name of (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one (CID 91262997) is (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one.
What is the SMILES notation for (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one?
The canonical SMILES for (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one is [H]/N=C(\C=C/CC)C(=C\C)/C(=O)C(C)CC.
What is the InChIKey of (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one?
The InChIKey is JYUWSGOOGJTGOF-WTMWUYOCSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-8-9-12(14)11(7-3)13(15)10(4)6-2/h7-10,14H,5-6H2,1-4H3/b9-8-,11-7+,14-12+.
What are the key properties of (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one?
(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one has a molecular weight of 207.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one is sourced from PubChem (CID 91262997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).