9-imino-2-methyldec-1-en-3-one

C11H19NO — CID 158349859

IUPAC9-imino-2-methyldec-1-en-3-one
SMILES[H]/N=C(\C)CCCCCC(=O)C(=C)C
InChIInChI=1S/C11H19NO/c1-9(2)11(13)8-6-4-5-7-10(3)12/h12H,1,4-8H2,2-3H3/b12-10+
InChIKeyGSEIOFZNWMIMAA-ZRDIBKRKSA-N
MW181.28 g/mol
LogP3.12
Rot. Bonds7

About 9-imino-2-methyldec-1-en-3-one

9-imino-2-methyldec-1-en-3-one (PubChem CID 158349859) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 9-imino-2-methyldec-1-en-3-one.

Molecular Properties

Compound Name9-imino-2-methyldec-1-en-3-one
PubChem CID158349859
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name9-imino-2-methyldec-1-en-3-one
SMILES[H]/N=C(\C)CCCCCC(=O)C(=C)C
InChIInChI=1S/C11H19NO/c1-9(2)11(13)8-6-4-5-7-10(3)12/h12H,1,4-8H2,2-3H3/b12-10+
InChIKeyGSEIOFZNWMIMAA-ZRDIBKRKSA-N
XLogP3.12
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.12
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

6-Imino-3-methylideneheptane-2,4-dione
CID 123193964
4-Iminonon-8-en-2-one
CID 123816697
5-(6-Imino-2-methylhept-2-enyl)cyclohept-5-ene-1,4-dione
CID 123910002
9-Imino-2-methylnon-1-en-3-one
CID 139841217
(4R)-2-imino-4-prop-1-en-2-yloctan-3-one
CID 143367330
10-Imino-2-methyldec-1-en-3-one
CID 144369935
10-Imino-2-methylundec-1-ene-3,8-dione
CID 155055760
(6R)-2-imino-6-methyl-5-methylideneoctan-3-one
CID 163421128
(3R)-3-but-1-en-2-yl-8-imino-7-methylnonan-2-one
CID 170042436
(4S)-9-imino-2,4-dimethyldec-1-en-3-one
CID 158918079

Frequently Asked Questions

What is the IUPAC name of 9-imino-2-methyldec-1-en-3-one?
The IUPAC name of 9-imino-2-methyldec-1-en-3-one (CID 158349859) is 9-imino-2-methyldec-1-en-3-one.
What is the SMILES notation for 9-imino-2-methyldec-1-en-3-one?
The canonical SMILES for 9-imino-2-methyldec-1-en-3-one is [H]/N=C(\C)CCCCCC(=O)C(=C)C.
What is the InChIKey of 9-imino-2-methyldec-1-en-3-one?
The InChIKey is GSEIOFZNWMIMAA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)11(13)8-6-4-5-7-10(3)12/h12H,1,4-8H2,2-3H3/b12-10+.
What are the key properties of 9-imino-2-methyldec-1-en-3-one?
9-imino-2-methyldec-1-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-imino-2-methyldec-1-en-3-one is sourced from PubChem (CID 158349859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).