(Z)-3-methyl-6-methyliminohept-4-en-2-one

C9H15NO — CID 123343354

IUPAC(Z)-3-methyl-6-methyliminohept-4-en-2-one
SMILESC/N=C(C)/C=C\C(C)C(C)=O
InChIInChI=1S/C9H15NO/c1-7(9(3)11)5-6-8(2)10-4/h5-7H,1-4H3/b6-5-,10-8+
InChIKeyHWPRNYGESKENSY-UGXDAERVSA-N
MW153.22 g/mol
LogP1.86
Rot. Bonds3

About (Z)-3-methyl-6-methyliminohept-4-en-2-one

(Z)-3-methyl-6-methyliminohept-4-en-2-one (PubChem CID 123343354) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-3-methyl-6-methyliminohept-4-en-2-one.

Molecular Properties

Compound Name(Z)-3-methyl-6-methyliminohept-4-en-2-one
PubChem CID123343354
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-3-methyl-6-methyliminohept-4-en-2-one
SMILESC/N=C(C)/C=C\C(C)C(C)=O
InChIInChI=1S/C9H15NO/c1-7(9(3)11)5-6-8(2)10-4/h5-7H,1-4H3/b6-5-,10-8+
InChIKeyHWPRNYGESKENSY-UGXDAERVSA-N
XLogP1.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Diazocyclohexa-2,5-dien-1-yl)ethanone
CID 19748488
1-(2,3-Dihydropyridin-6-yl)-2-methylpropan-1-one
CID 68049953
1-(6-Methyl-2,3-dihydropyridin-3-yl)ethanone
CID 89224171
2-methyl-1-(2H-pyrrol-5-yl)propan-1-one
CID 89368532
(Z)-3-methylidene-6-methyliminohept-4-en-2-one
CID 91407273
(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one
CID 91524353
6-Isopropylpyridin-2(3H)-one
CID 118968929
1-(2,3-Dihydropyridin-6-yl)ethanone
CID 121321845
N,4-dimethyl-5-oxohept-2-enimidoyl cyanide
CID 123481194
3-Methyliminohex-4-en-2-one
CID 123747362
5-Methyl-3-methyliminohex-4-en-2-one
CID 123878016
(Z)-3-methyliminohex-4-en-2-one
CID 130306278

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-6-methyliminohept-4-en-2-one?
The IUPAC name of (Z)-3-methyl-6-methyliminohept-4-en-2-one (CID 123343354) is (Z)-3-methyl-6-methyliminohept-4-en-2-one.
What is the SMILES notation for (Z)-3-methyl-6-methyliminohept-4-en-2-one?
The canonical SMILES for (Z)-3-methyl-6-methyliminohept-4-en-2-one is C/N=C(C)/C=C\C(C)C(C)=O.
What is the InChIKey of (Z)-3-methyl-6-methyliminohept-4-en-2-one?
The InChIKey is HWPRNYGESKENSY-UGXDAERVSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(9(3)11)5-6-8(2)10-4/h5-7H,1-4H3/b6-5-,10-8+.
What are the key properties of (Z)-3-methyl-6-methyliminohept-4-en-2-one?
(Z)-3-methyl-6-methyliminohept-4-en-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-6-methyliminohept-4-en-2-one is sourced from PubChem (CID 123343354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).