(4S)-9-imino-2,4-dimethyldec-1-en-3-one

C12H21NO — CID 158918079

IUPAC(4S)-9-imino-2,4-dimethyldec-1-en-3-one
SMILES[H]/N=C(\C)CCCC[C@H](C)C(=O)C(=C)C
InChIInChI=1S/C12H21NO/c1-9(2)12(14)10(3)7-5-6-8-11(4)13/h10,13H,1,5-8H2,2-4H3/b13-11+/t10-/m0/s1
InChIKeyREVGNMPMQFZDRW-GYXQTMOZSA-N
MW195.31 g/mol
LogP3.37
Rot. Bonds7

About (4S)-9-imino-2,4-dimethyldec-1-en-3-one

(4S)-9-imino-2,4-dimethyldec-1-en-3-one (PubChem CID 158918079) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (4S)-9-imino-2,4-dimethyldec-1-en-3-one.

Molecular Properties

Compound Name(4S)-9-imino-2,4-dimethyldec-1-en-3-one
PubChem CID158918079
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(4S)-9-imino-2,4-dimethyldec-1-en-3-one
SMILES[H]/N=C(\C)CCCC[C@H](C)C(=O)C(=C)C
InChIInChI=1S/C12H21NO/c1-9(2)12(14)10(3)7-5-6-8-11(4)13/h10,13H,1,5-8H2,2-4H3/b13-11+/t10-/m0/s1
InChIKeyREVGNMPMQFZDRW-GYXQTMOZSA-N
XLogP3.37
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.37
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

8-Imino-9-methyl-2-[(2-propylcyclohexyl)methyl]dec-1-en-3-one
CID 90933944
(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
4-Ethanimidoyl-2,5-dimethylhex-1-en-3-one
CID 123419651
4-Ethyl-5-imino-2-methylhex-1-en-3-one
CID 123572705
8-Imino-3,9-dimethyl-7-methylidenedec-9-en-2-one
CID 123635742
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
(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one
CID 146182408
(7S)-12-imino-7-methyltridec-1-en-6-one
CID 147733929
10-Imino-2-methylundec-1-ene-3,8-dione
CID 155055760

Frequently Asked Questions

What is the IUPAC name of (4S)-9-imino-2,4-dimethyldec-1-en-3-one?
The IUPAC name of (4S)-9-imino-2,4-dimethyldec-1-en-3-one (CID 158918079) is (4S)-9-imino-2,4-dimethyldec-1-en-3-one.
What is the SMILES notation for (4S)-9-imino-2,4-dimethyldec-1-en-3-one?
The canonical SMILES for (4S)-9-imino-2,4-dimethyldec-1-en-3-one is [H]/N=C(\C)CCCC[C@H](C)C(=O)C(=C)C.
What is the InChIKey of (4S)-9-imino-2,4-dimethyldec-1-en-3-one?
The InChIKey is REVGNMPMQFZDRW-GYXQTMOZSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)12(14)10(3)7-5-6-8-11(4)13/h10,13H,1,5-8H2,2-4H3/b13-11+/t10-/m0/s1.
What are the key properties of (4S)-9-imino-2,4-dimethyldec-1-en-3-one?
(4S)-9-imino-2,4-dimethyldec-1-en-3-one has a molecular weight of 195.31 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-9-imino-2,4-dimethyldec-1-en-3-one is sourced from PubChem (CID 158918079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).