10-imino-6-methyldec-5-en-4-one

C11H19NO — CID 123802589

IUPAC10-imino-6-methyldec-5-en-4-one
SMILES[H]/N=C/CCCC(C)=CC(=O)CCC
InChIInChI=1S/C11H19NO/c1-3-6-11(13)9-10(2)7-4-5-8-12/h8-9,12H,3-7H2,1-2H3/b10-9?,12-8+
InChIKeySKSLXUZSFIAHTR-QJQJIATLSA-N
MW181.28 g/mol
LogP3.12
Rot. Bonds7

About 10-imino-6-methyldec-5-en-4-one

10-imino-6-methyldec-5-en-4-one (PubChem CID 123802589) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 10-imino-6-methyldec-5-en-4-one.

Molecular Properties

Compound Name10-imino-6-methyldec-5-en-4-one
PubChem CID123802589
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name10-imino-6-methyldec-5-en-4-one
SMILES[H]/N=C/CCCC(C)=CC(=O)CCC
InChIInChI=1S/C11H19NO/c1-3-6-11(13)9-10(2)7-4-5-8-12/h8-9,12H,3-7H2,1-2H3/b10-9?,12-8+
InChIKeySKSLXUZSFIAHTR-QJQJIATLSA-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

1-[2-(2-Methanimidoylprop-2-enyl)cyclopenta-1,3-dien-1-yl]ethanone
CID 91414705
10-Imino-7-methyldeca-1,6-dien-5-one
CID 123321527
5-Ethenyl-1-iminohept-5-en-2-one
CID 123378574
1-Methylimino-4-propyloct-4-en-3-one
CID 123567511
(4E,5Z)-4-ethylidene-1-iminoocta-5,7-dien-3-one
CID 123915265
(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one
CID 130369909
1-Imino-6-methylhept-5-en-2-one
CID 142863015
ethane;(3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-one
CID 144515134
Ethane;2-methanimidoylcyclohex-2-en-1-one
CID 144801259
(E)-3-(methyliminomethyl)hept-2-en-4-one
CID 156480034
(Z)-4-methanimidoyl-3-methylidenehex-4-en-2-one
CID 156799750
ethane;(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one
CID 162738010

Frequently Asked Questions

What is the IUPAC name of 10-imino-6-methyldec-5-en-4-one?
The IUPAC name of 10-imino-6-methyldec-5-en-4-one (CID 123802589) is 10-imino-6-methyldec-5-en-4-one.
What is the SMILES notation for 10-imino-6-methyldec-5-en-4-one?
The canonical SMILES for 10-imino-6-methyldec-5-en-4-one is [H]/N=C/CCCC(C)=CC(=O)CCC.
What is the InChIKey of 10-imino-6-methyldec-5-en-4-one?
The InChIKey is SKSLXUZSFIAHTR-QJQJIATLSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-6-11(13)9-10(2)7-4-5-8-12/h8-9,12H,3-7H2,1-2H3/b10-9?,12-8+.
What are the key properties of 10-imino-6-methyldec-5-en-4-one?
10-imino-6-methyldec-5-en-4-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 10-imino-6-methyldec-5-en-4-one is sourced from PubChem (CID 123802589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).