(7S)-12-imino-7-methyltridec-1-en-6-one

C14H25NO — CID 147733929

IUPAC(7S)-12-imino-7-methyltridec-1-en-6-one
SMILES[H]/N=C(\C)CCCC[C@H](C)C(=O)CCCC=C
InChIInChI=1S/C14H25NO/c1-4-5-6-11-14(16)12(2)9-7-8-10-13(3)15/h4,12,15H,1,5-11H2,2-3H3/b15-13+/t12-/m0/s1
InChIKeyGYYZEXPXIVKTTR-PRSJPOKTSA-N
MW223.36 g/mol
LogP4.15
Rot. Bonds10

About (7S)-12-imino-7-methyltridec-1-en-6-one

(7S)-12-imino-7-methyltridec-1-en-6-one (PubChem CID 147733929) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (7S)-12-imino-7-methyltridec-1-en-6-one.

Molecular Properties

Compound Name(7S)-12-imino-7-methyltridec-1-en-6-one
PubChem CID147733929
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(7S)-12-imino-7-methyltridec-1-en-6-one
SMILES[H]/N=C(\C)CCCC[C@H](C)C(=O)CCCC=C
InChIInChI=1S/C14H25NO/c1-4-5-6-11-14(16)12(2)9-7-8-10-13(3)15/h4,12,15H,1,5-11H2,2-3H3/b15-13+/t12-/m0/s1
InChIKeyGYYZEXPXIVKTTR-PRSJPOKTSA-N
XLogP4.15
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
(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
2-Imino-6-methyldec-8-en-3-one
CID 90885707
(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
3-Imino-2-(2-methylhexa-3,5-dienyl)cyclohexan-1-one
CID 123323603
(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one
CID 123433659
3-Methanimidoylnon-8-en-2-one
CID 123503961
6-Imino-2-(4-methylpentyl)cyclohept-4-en-1-one
CID 123590001
8-Imino-3,9-dimethyl-7-methylidenedec-9-en-2-one
CID 123635742
1-[5-Imino-2-(2-methylpropyl)cyclohex-3-en-1-yl]prop-2-en-1-one
CID 123709377

Frequently Asked Questions

What is the IUPAC name of (7S)-12-imino-7-methyltridec-1-en-6-one?
The IUPAC name of (7S)-12-imino-7-methyltridec-1-en-6-one (CID 147733929) is (7S)-12-imino-7-methyltridec-1-en-6-one.
What is the SMILES notation for (7S)-12-imino-7-methyltridec-1-en-6-one?
The canonical SMILES for (7S)-12-imino-7-methyltridec-1-en-6-one is [H]/N=C(\C)CCCC[C@H](C)C(=O)CCCC=C.
What is the InChIKey of (7S)-12-imino-7-methyltridec-1-en-6-one?
The InChIKey is GYYZEXPXIVKTTR-PRSJPOKTSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-6-11-14(16)12(2)9-7-8-10-13(3)15/h4,12,15H,1,5-11H2,2-3H3/b15-13+/t12-/m0/s1.
What are the key properties of (7S)-12-imino-7-methyltridec-1-en-6-one?
(7S)-12-imino-7-methyltridec-1-en-6-one has a molecular weight of 223.36 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-12-imino-7-methyltridec-1-en-6-one is sourced from PubChem (CID 147733929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).