8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one

C13H21NO — CID 123635742

IUPAC8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one
SMILES[H]/N=C(\C(=C)C)C(=C)CCCC(C)C(C)=O
InChIInChI=1S/C13H21NO/c1-9(2)13(14)11(4)8-6-7-10(3)12(5)15/h10,14H,1,4,6-8H2,2-3,5H3/b14-13+
InChIKeyCMAPBBWWMIRREV-BUHFOSPRSA-N
MW207.32 g/mol
LogP3.53
Rot. Bonds7

About 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one

8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one (PubChem CID 123635742) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one.

Molecular Properties

Compound Name8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one
PubChem CID123635742
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one
SMILES[H]/N=C(\C(=C)C)C(=C)CCCC(C)C(C)=O
InChIInChI=1S/C13H21NO/c1-9(2)13(14)11(4)8-6-7-10(3)12(5)15/h10,14H,1,4,6-8H2,2-3,5H3/b14-13+
InChIKeyCMAPBBWWMIRREV-BUHFOSPRSA-N
XLogP3.53
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

Analyze 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-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

3,6-Diacetyl-4-imino-5-(iminomethylidene)octane-2,7-dione
CID 88421466
(9E,12E)-13-ethyl-8-imino-4,9,10,15-tetramethyl-5-(3-methylbut-1-en-2-yl)hexadeca-9,12-dien-2-one
CID 90875133
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
4,5-Dimethyl-6-propanimidoyldeca-1,6-dien-3-one
CID 123237655
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303
6-Imino-2-(4-methylpentyl)cyclohept-4-en-1-one
CID 123590001
8-Imino-3-methyl-7-methylidenedec-9-en-2-one
CID 123744513
(4R)-2-imino-4-prop-1-en-2-yloctan-3-one
CID 143367330
(Z,3S)-5-ethanimidoyl-3-methylhept-5-en-2-one
CID 144390543
(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one
CID 146182408
(7S)-12-imino-7-methyltridec-1-en-6-one
CID 147733929
(6R)-2-imino-6-methyl-5-methylideneoctan-3-one
CID 163421128

Frequently Asked Questions

What is the IUPAC name of 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one?
The IUPAC name of 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one (CID 123635742) is 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one.
What is the SMILES notation for 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one?
The canonical SMILES for 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one is [H]/N=C(\C(=C)C)C(=C)CCCC(C)C(C)=O.
What is the InChIKey of 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one?
The InChIKey is CMAPBBWWMIRREV-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)13(14)11(4)8-6-7-10(3)12(5)15/h10,14H,1,4,6-8H2,2-3,5H3/b14-13+.
What are the key properties of 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one?
8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one has a molecular weight of 207.32 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-3,9-dimethyl-7-methylidenedec-9-en-2-one is sourced from PubChem (CID 123635742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).