8-imino-3-methyl-7-methylidenedec-9-en-2-one

C12H19NO — CID 123744513

IUPAC8-imino-3-methyl-7-methylidenedec-9-en-2-one
SMILES[H]/N=C(\C=C)C(=C)CCCC(C)C(C)=O
InChIInChI=1S/C12H19NO/c1-5-12(13)10(3)8-6-7-9(2)11(4)14/h5,9,13H,1,3,6-8H2,2,4H3/b13-12+
InChIKeySIFXXWXZNMUVPQ-OUKQBFOZSA-N
MW193.29 g/mol
LogP3.14
Rot. Bonds7

About 8-imino-3-methyl-7-methylidenedec-9-en-2-one

8-imino-3-methyl-7-methylidenedec-9-en-2-one (PubChem CID 123744513) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 8-imino-3-methyl-7-methylidenedec-9-en-2-one.

Molecular Properties

Compound Name8-imino-3-methyl-7-methylidenedec-9-en-2-one
PubChem CID123744513
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name8-imino-3-methyl-7-methylidenedec-9-en-2-one
SMILES[H]/N=C(\C=C)C(=C)CCCC(C)C(C)=O
InChIInChI=1S/C12H19NO/c1-5-12(13)10(3)8-6-7-9(2)11(4)14/h5,9,13H,1,3,6-8H2,2,4H3/b13-12+
InChIKeySIFXXWXZNMUVPQ-OUKQBFOZSA-N
XLogP3.14
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
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 8-imino-3-methyl-7-methylidenedec-9-en-2-one?
The IUPAC name of 8-imino-3-methyl-7-methylidenedec-9-en-2-one (CID 123744513) is 8-imino-3-methyl-7-methylidenedec-9-en-2-one.
What is the SMILES notation for 8-imino-3-methyl-7-methylidenedec-9-en-2-one?
The canonical SMILES for 8-imino-3-methyl-7-methylidenedec-9-en-2-one is [H]/N=C(\C=C)C(=C)CCCC(C)C(C)=O.
What is the InChIKey of 8-imino-3-methyl-7-methylidenedec-9-en-2-one?
The InChIKey is SIFXXWXZNMUVPQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-12(13)10(3)8-6-7-9(2)11(4)14/h5,9,13H,1,3,6-8H2,2,4H3/b13-12+.
What are the key properties of 8-imino-3-methyl-7-methylidenedec-9-en-2-one?
8-imino-3-methyl-7-methylidenedec-9-en-2-one has a molecular weight of 193.29 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-3-methyl-7-methylidenedec-9-en-2-one is sourced from PubChem (CID 123744513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).