(Z)-2-imino-11,11-dimethyldodec-9-en-3-one

C14H25NO — CID 163797859

IUPAC(Z)-2-imino-11,11-dimethyldodec-9-en-3-one
SMILES[H]/N=C(\C)C(=O)CCCCC/C=C\C(C)(C)C
InChIInChI=1S/C14H25NO/c1-12(15)13(16)10-8-6-5-7-9-11-14(2,3)4/h9,11,15H,5-8,10H2,1-4H3/b11-9-,15-12+
InChIKeyNCJVOJWCKYEFRA-XOANFOMVSA-N
MW223.36 g/mol
LogP4.15
Rot. Bonds7

About (Z)-2-imino-11,11-dimethyldodec-9-en-3-one

(Z)-2-imino-11,11-dimethyldodec-9-en-3-one (PubChem CID 163797859) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (Z)-2-imino-11,11-dimethyldodec-9-en-3-one.

Molecular Properties

Compound Name(Z)-2-imino-11,11-dimethyldodec-9-en-3-one
PubChem CID163797859
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(Z)-2-imino-11,11-dimethyldodec-9-en-3-one
SMILES[H]/N=C(\C)C(=O)CCCCC/C=C\C(C)(C)C
InChIInChI=1S/C14H25NO/c1-12(15)13(16)10-8-6-5-7-9-11-14(2,3)4/h9,11,15H,5-8,10H2,1-4H3/b11-9-,15-12+
InChIKeyNCJVOJWCKYEFRA-XOANFOMVSA-N
XLogP4.15
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-2-imino-11,11-dimethyldodec-9-en-3-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

(Z)-3-iminodec-7-en-2-one
CID 88953848
2-Imino-6-methyldec-8-en-3-one
CID 90885707
1-(6-Iminocyclohexen-1-yl)propan-2-one
CID 91240495
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
6-Imino-2-(4-methylpentyl)cyclohept-4-en-1-one
CID 123590001
4-Iminonon-8-en-2-one
CID 123816697
3-Imino-5-methylcyclohept-4-en-1-one
CID 123864100
(Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one
CID 129233475
(E)-5-imino-8-methylnon-6-en-2-one
CID 144438690
(8E)-16-iminocyclohexadec-8-en-1-one
CID 145054293
(8E)-2-iminocyclohexadec-8-en-1-one
CID 145054294
ethene;(Z)-3-imino-5-methylideneoct-6-en-2-one
CID 145093202

Frequently Asked Questions

What is the IUPAC name of (Z)-2-imino-11,11-dimethyldodec-9-en-3-one?
The IUPAC name of (Z)-2-imino-11,11-dimethyldodec-9-en-3-one (CID 163797859) is (Z)-2-imino-11,11-dimethyldodec-9-en-3-one.
What is the SMILES notation for (Z)-2-imino-11,11-dimethyldodec-9-en-3-one?
The canonical SMILES for (Z)-2-imino-11,11-dimethyldodec-9-en-3-one is [H]/N=C(\C)C(=O)CCCCC/C=C\C(C)(C)C.
What is the InChIKey of (Z)-2-imino-11,11-dimethyldodec-9-en-3-one?
The InChIKey is NCJVOJWCKYEFRA-XOANFOMVSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(15)13(16)10-8-6-5-7-9-11-14(2,3)4/h9,11,15H,5-8,10H2,1-4H3/b11-9-,15-12+.
What are the key properties of (Z)-2-imino-11,11-dimethyldodec-9-en-3-one?
(Z)-2-imino-11,11-dimethyldodec-9-en-3-one has a molecular weight of 223.36 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-imino-11,11-dimethyldodec-9-en-3-one is sourced from PubChem (CID 163797859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).