10-imino-7-methyldeca-1,6-dien-5-one

C11H17NO — CID 123321527

IUPAC10-imino-7-methyldeca-1,6-dien-5-one
SMILES[H]/N=C/CCC(C)=CC(=O)CCC=C
InChIInChI=1S/C11H17NO/c1-3-4-7-11(13)9-10(2)6-5-8-12/h3,8-9,12H,1,4-7H2,2H3/b10-9?,12-8+
InChIKeyJZFNCWMWHAKYTB-QJQJIATLSA-N
MW179.26 g/mol
LogP2.90
Rot. Bonds7

About 10-imino-7-methyldeca-1,6-dien-5-one

10-imino-7-methyldeca-1,6-dien-5-one (PubChem CID 123321527) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 10-imino-7-methyldeca-1,6-dien-5-one.

Molecular Properties

Compound Name10-imino-7-methyldeca-1,6-dien-5-one
PubChem CID123321527
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name10-imino-7-methyldeca-1,6-dien-5-one
SMILES[H]/N=C/CCC(C)=CC(=O)CCC=C
InChIInChI=1S/C11H17NO/c1-3-4-7-11(13)9-10(2)6-5-8-12/h3,8-9,12H,1,4-7H2,2H3/b10-9?,12-8+
InChIKeyJZFNCWMWHAKYTB-QJQJIATLSA-N
XLogP2.90
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
(4Z,6Z)-4-methanimidoylocta-4,6-dien-2-one
CID 117810351
(E,3E)-3-(2-iminoethylidene)hex-4-en-2-one
CID 121486290
5-Ethenyl-1-iminohept-5-en-2-one
CID 123378574
1-Iminohept-5-en-2-one
CID 123560377
10-Imino-6-methyldec-5-en-4-one
CID 123802589
3-Ethylidene-1-iminohept-4-en-2-one
CID 123839857
(4E,5Z)-4-ethylidene-1-iminoocta-5,7-dien-3-one
CID 123915265
(4E,5Z)-4-(2-iminoethylidene)hepta-1,5-dien-3-one
CID 129215808
(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one
CID 130369909
(Z,4Z)-4-(2-iminoethylidene)hept-5-en-2-one
CID 135177397
(5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one
CID 138480997

Frequently Asked Questions

What is the IUPAC name of 10-imino-7-methyldeca-1,6-dien-5-one?
The IUPAC name of 10-imino-7-methyldeca-1,6-dien-5-one (CID 123321527) is 10-imino-7-methyldeca-1,6-dien-5-one.
What is the SMILES notation for 10-imino-7-methyldeca-1,6-dien-5-one?
The canonical SMILES for 10-imino-7-methyldeca-1,6-dien-5-one is [H]/N=C/CCC(C)=CC(=O)CCC=C.
What is the InChIKey of 10-imino-7-methyldeca-1,6-dien-5-one?
The InChIKey is JZFNCWMWHAKYTB-QJQJIATLSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-7-11(13)9-10(2)6-5-8-12/h3,8-9,12H,1,4-7H2,2H3/b10-9?,12-8+.
What are the key properties of 10-imino-7-methyldeca-1,6-dien-5-one?
10-imino-7-methyldeca-1,6-dien-5-one has a molecular weight of 179.26 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imino-7-methyldeca-1,6-dien-5-one is sourced from PubChem (CID 123321527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).