(Z)-5-methyliminohex-3-en-2-one

C7H11NO — CID 143525637

IUPAC(Z)-5-methyliminohex-3-en-2-one
SMILESC/N=C(C)/C=C\C(C)=O
InChIInChI=1S/C7H11NO/c1-6(8-3)4-5-7(2)9/h4-5H,1-3H3/b5-4-,8-6+
InChIKeyXIEBNLPHATUTFC-GSGSLZOQSA-N
MW125.17 g/mol
LogP1.22
Rot. Bonds2

About (Z)-5-methyliminohex-3-en-2-one

(Z)-5-methyliminohex-3-en-2-one (PubChem CID 143525637) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-5-methyliminohex-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-methyliminohex-3-en-2-one
PubChem CID143525637
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-5-methyliminohex-3-en-2-one
SMILESC/N=C(C)/C=C\C(C)=O
InChIInChI=1S/C7H11NO/c1-6(8-3)4-5-7(2)9/h4-5H,1-3H3/b5-4-,8-6+
InChIKeyXIEBNLPHATUTFC-GSGSLZOQSA-N
XLogP1.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.22
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyliminohex-3-en-2-one?
The IUPAC name of (Z)-5-methyliminohex-3-en-2-one (CID 143525637) is (Z)-5-methyliminohex-3-en-2-one.
What is the SMILES notation for (Z)-5-methyliminohex-3-en-2-one?
The canonical SMILES for (Z)-5-methyliminohex-3-en-2-one is C/N=C(C)/C=C\C(C)=O.
What is the InChIKey of (Z)-5-methyliminohex-3-en-2-one?
The InChIKey is XIEBNLPHATUTFC-GSGSLZOQSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(8-3)4-5-7(2)9/h4-5H,1-3H3/b5-4-,8-6+.
What are the key properties of (Z)-5-methyliminohex-3-en-2-one?
(Z)-5-methyliminohex-3-en-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyliminohex-3-en-2-one is sourced from PubChem (CID 143525637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).