(Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one

C15H27NO — CID 158016604

IUPAC(Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one
SMILES[H]/N=C(\C)CCC/C=C(/CC(C)C)C(=O)C(C)C
InChIInChI=1S/C15H27NO/c1-11(2)10-14(15(17)12(3)4)9-7-6-8-13(5)16/h9,11-12,16H,6-8,10H2,1-5H3/b14-9-,16-13+
InChIKeyKBGLTDKBUVANOF-UYEXLHIVSA-N
MW237.39 g/mol
LogP4.39
Rot. Bonds8

About (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one

(Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one (PubChem CID 158016604) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one.

Molecular Properties

Compound Name(Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one
PubChem CID158016604
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one
SMILES[H]/N=C(\C)CCC/C=C(/CC(C)C)C(=O)C(C)C
InChIInChI=1S/C15H27NO/c1-11(2)10-14(15(17)12(3)4)9-7-6-8-13(5)16/h9,11-12,16H,6-8,10H2,1-5H3/b14-9-,16-13+
InChIKeyKBGLTDKBUVANOF-UYEXLHIVSA-N
XLogP4.39
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-9-imino-2-methyl-4-(propan-2-ylamino)dec-4-en-3-one
CID 160904739
7-imino-2-methyloctanoic acid
CID 58165156
N-(4-iminopentyl)-N-propan-2-ylhydroxylamine
CID 123990488
6,7-dimethyloct-5-enoic acid
CID 162716838
2-methylpropyl 2-iminopropanoate
CID 91480020
8-methyl-7-propan-2-ylnonan-2-imine
CID 58164973
5,9-dimethylundecan-2-imine
CID 163570105
2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium
CID 57019074
N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide
CID 123699210
7-iminooctan-1-amine
CID 174433043
4-imino-N-methylpentan-1-amine
CID 146836527
heptan-2-imine;propane;tungsten
CID 57359574

Frequently Asked Questions

What is the IUPAC name of (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one?
The IUPAC name of (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one (CID 158016604) is (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one.
What is the SMILES notation for (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one?
The canonical SMILES for (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one is [H]/N=C(\C)CCC/C=C(/CC(C)C)C(=O)C(C)C.
What is the InChIKey of (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one?
The InChIKey is KBGLTDKBUVANOF-UYEXLHIVSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(2)10-14(15(17)12(3)4)9-7-6-8-13(5)16/h9,11-12,16H,6-8,10H2,1-5H3/b14-9-,16-13+.
What are the key properties of (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one?
(Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one has a molecular weight of 237.39 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-imino-2-methyl-4-(2-methylpropyl)dec-4-en-3-one is sourced from PubChem (CID 158016604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).