(E)-5-methyl-3-methyliminohept-4-en-2-one

C9H15NO — CID 144720697

IUPAC(E)-5-methyl-3-methyliminohept-4-en-2-one
SMILESCC/C(C)=C/C(=N/C)C(C)=O
InChIInChI=1S/C9H15NO/c1-5-7(2)6-9(10-4)8(3)11/h6H,5H2,1-4H3/b7-6+,10-9-
InChIKeySCWDVWNCPQUDRP-KQHSAVHASA-N
MW153.22 g/mol
LogP2.00
Rot. Bonds3

About (E)-5-methyl-3-methyliminohept-4-en-2-one

(E)-5-methyl-3-methyliminohept-4-en-2-one (PubChem CID 144720697) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-5-methyl-3-methyliminohept-4-en-2-one.

Molecular Properties

Compound Name(E)-5-methyl-3-methyliminohept-4-en-2-one
PubChem CID144720697
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-5-methyl-3-methyliminohept-4-en-2-one
SMILESCC/C(C)=C/C(=N/C)C(C)=O
InChIInChI=1S/C9H15NO/c1-5-7(2)6-9(10-4)8(3)11/h6H,5H2,1-4H3/b7-6+,10-9-
InChIKeySCWDVWNCPQUDRP-KQHSAVHASA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
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

3-Ethylimino-4-fluorohex-4-en-2-one
CID 123908334
2,3,6-Trimethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 57553800
2,6-Dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium
CID 58194049
1-(3-tert-butyl-2H-pyrrol-5-yl)ethanone
CID 58367514
1-(3-methyl-2H-pyrrol-5-yl)ethanone
CID 58966269
3-Methyl-5-methyliminohex-3-en-2-one
CID 59498255
1-(5-Methyl-2,3-dihydropyridin-6-yl)ethanone
CID 89073500
3-(2-Methylprop-1-enylimino)pent-4-en-2-one
CID 89349894
6-ethyl-5-methyl-3H-pyridin-2-one
CID 90455642
3-Imino-5-methylhex-4-en-2-one
CID 91062764
1-(5-Ethyl-2,3-dihydropyridin-6-yl)ethanone
CID 91357305
(Z)-3-methylidene-6-methyliminohept-4-en-2-one
CID 91407273

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-3-methyliminohept-4-en-2-one?
The IUPAC name of (E)-5-methyl-3-methyliminohept-4-en-2-one (CID 144720697) is (E)-5-methyl-3-methyliminohept-4-en-2-one.
What is the SMILES notation for (E)-5-methyl-3-methyliminohept-4-en-2-one?
The canonical SMILES for (E)-5-methyl-3-methyliminohept-4-en-2-one is CC/C(C)=C/C(=N/C)C(C)=O.
What is the InChIKey of (E)-5-methyl-3-methyliminohept-4-en-2-one?
The InChIKey is SCWDVWNCPQUDRP-KQHSAVHASA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7(2)6-9(10-4)8(3)11/h6H,5H2,1-4H3/b7-6+,10-9-.
What are the key properties of (E)-5-methyl-3-methyliminohept-4-en-2-one?
(E)-5-methyl-3-methyliminohept-4-en-2-one has a molecular weight of 153.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-3-methyliminohept-4-en-2-one is sourced from PubChem (CID 144720697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).