(Z)-5-imino-4-methylhex-3-en-2-one

C7H11NO — CID 91073588

IUPAC(Z)-5-imino-4-methylhex-3-en-2-one
SMILES[H]/N=C(C)/C(C)=C\C(C)=O
InChIInChI=1S/C7H11NO/c1-5(7(3)8)4-6(2)9/h4,8H,1-3H3/b5-4-,8-7+
InChIKeyCKVOQLJVPZSUSD-KXKKYDSASA-N
MW125.17 g/mol
LogP1.56
Rot. Bonds2

About (Z)-5-imino-4-methylhex-3-en-2-one

(Z)-5-imino-4-methylhex-3-en-2-one (PubChem CID 91073588) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-5-imino-4-methylhex-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-imino-4-methylhex-3-en-2-one
PubChem CID91073588
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-5-imino-4-methylhex-3-en-2-one
SMILES[H]/N=C(C)/C(C)=C\C(C)=O
InChIInChI=1S/C7H11NO/c1-5(7(3)8)4-6(2)9/h4,8H,1-3H3/b5-4-,8-7+
InChIKeyCKVOQLJVPZSUSD-KXKKYDSASA-N
XLogP1.56
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Diethylquinoneimine
CID 150565
2,5-Cyclohexadien-1-one, 3,5-dimethyl-4-imino-
CID 3076715
4-Imino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 20496336
Methylbenzoquinone monoimine
CID 20516795
2-Ethyl-benzoquinone imine
CID 132277171
3-Ethyl-4-imino-5-methyl-2,5-cyclohexadien-1-one
CID 3075771
4-Imino-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 20292609
4-Imino-2,3-dimethylcyclohexa-2,5-dien-1-one
CID 20516822
4-Imino-2-methylcyclohexa-2,5-dien-1-one
CID 21539677
4-Imino-2-methylcyclohexa-2,5-dien-1-one;hydrochloride
CID 70626792
4-Imino-3-methylcyclohexa-2,5-dien-1-one;hydrochloride
CID 70626997
(3Z)-5-iminohepta-3,6-dien-2-one
CID 88982078

Frequently Asked Questions

What is the IUPAC name of (Z)-5-imino-4-methylhex-3-en-2-one?
The IUPAC name of (Z)-5-imino-4-methylhex-3-en-2-one (CID 91073588) is (Z)-5-imino-4-methylhex-3-en-2-one.
What is the SMILES notation for (Z)-5-imino-4-methylhex-3-en-2-one?
The canonical SMILES for (Z)-5-imino-4-methylhex-3-en-2-one is [H]/N=C(C)/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-5-imino-4-methylhex-3-en-2-one?
The InChIKey is CKVOQLJVPZSUSD-KXKKYDSASA-N. The full InChI is InChI=1S/C7H11NO/c1-5(7(3)8)4-6(2)9/h4,8H,1-3H3/b5-4-,8-7+.
What are the key properties of (Z)-5-imino-4-methylhex-3-en-2-one?
(Z)-5-imino-4-methylhex-3-en-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-imino-4-methylhex-3-en-2-one is sourced from PubChem (CID 91073588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).