4-imino-2,6-dimethylhept-5-en-3-one

C9H15NO — CID 123908856

IUPAC4-imino-2,6-dimethylhept-5-en-3-one
SMILES[H]/N=C(\C=C(C)C)C(=O)C(C)C
InChIInChI=1S/C9H15NO/c1-6(2)5-8(10)9(11)7(3)4/h5,7,10H,1-4H3/b10-8+
InChIKeyZDMLSXBUEHXSCO-CSKARUKUSA-N
MW153.22 g/mol
LogP2.20
Rot. Bonds3

About 4-imino-2,6-dimethylhept-5-en-3-one

4-imino-2,6-dimethylhept-5-en-3-one (PubChem CID 123908856) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-imino-2,6-dimethylhept-5-en-3-one.

Molecular Properties

Compound Name4-imino-2,6-dimethylhept-5-en-3-one
PubChem CID123908856
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-imino-2,6-dimethylhept-5-en-3-one
SMILES[H]/N=C(\C=C(C)C)C(=O)C(C)C
InChIInChI=1S/C9H15NO/c1-6(2)5-8(10)9(11)7(3)4/h5,7,10H,1-4H3/b10-8+
InChIKeyZDMLSXBUEHXSCO-CSKARUKUSA-N
XLogP2.20
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one
CID 88814103
1-(5-Imino-3-methylcyclohepta-1,6-dien-1-yl)ethanone
CID 90855946
3-Imino-5-methylhex-4-en-2-one
CID 91062764
(E)-2-imino-4-propan-2-yloct-4-en-3-one
CID 91087920
(5Z)-5-ethanimidoyl-2-methylhepta-2,5-dien-4-one
CID 123220309
(E)-5-imino-3,6-dimethyloct-3-en-2-one
CID 123527531
(E)-6,7-diimino-3,4-dimethyloct-4-en-2-one
CID 123547676
4-Imino-5-methyl-2-propan-2-ylcyclohexa-2,5-dien-1-one
CID 130030077
(2E)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)-4-methylpentan-3-one
CID 132196915
(4Z)-3-imino-6-methylhepta-4,6-dien-2-one
CID 141804815
5-Imino-3,3,7-trimethyloct-6-en-4-one
CID 143460352
(Z,3S)-5-ethanimidoyl-3-methylhept-5-en-2-one
CID 144390543

Frequently Asked Questions

What is the IUPAC name of 4-imino-2,6-dimethylhept-5-en-3-one?
The IUPAC name of 4-imino-2,6-dimethylhept-5-en-3-one (CID 123908856) is 4-imino-2,6-dimethylhept-5-en-3-one.
What is the SMILES notation for 4-imino-2,6-dimethylhept-5-en-3-one?
The canonical SMILES for 4-imino-2,6-dimethylhept-5-en-3-one is [H]/N=C(\C=C(C)C)C(=O)C(C)C.
What is the InChIKey of 4-imino-2,6-dimethylhept-5-en-3-one?
The InChIKey is ZDMLSXBUEHXSCO-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)5-8(10)9(11)7(3)4/h5,7,10H,1-4H3/b10-8+.
What are the key properties of 4-imino-2,6-dimethylhept-5-en-3-one?
4-imino-2,6-dimethylhept-5-en-3-one has a molecular weight of 153.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2,6-dimethylhept-5-en-3-one is sourced from PubChem (CID 123908856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).