(Z)-3-methyliminohex-4-en-2-one

C7H11NO — CID 130306278

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

About (Z)-3-methyliminohex-4-en-2-one

(Z)-3-methyliminohex-4-en-2-one (PubChem CID 130306278) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-3-methyliminohex-4-en-2-one.

Molecular Properties

Compound Name(Z)-3-methyliminohex-4-en-2-one
PubChem CID130306278
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-3-methyliminohex-4-en-2-one
SMILESC/C=C\C(=N\C)C(C)=O
InChIInChI=1S/C7H11NO/c1-4-5-7(8-3)6(2)9/h4-5H,1-3H3/b5-4-,8-7-
InChIKeyHWYCTXVHUHDIOE-UTOQUPLUSA-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_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyliminohex-4-en-2-one?
The IUPAC name of (Z)-3-methyliminohex-4-en-2-one (CID 130306278) is (Z)-3-methyliminohex-4-en-2-one.
What is the SMILES notation for (Z)-3-methyliminohex-4-en-2-one?
The canonical SMILES for (Z)-3-methyliminohex-4-en-2-one is C/C=C\C(=N\C)C(C)=O.
What is the InChIKey of (Z)-3-methyliminohex-4-en-2-one?
The InChIKey is HWYCTXVHUHDIOE-UTOQUPLUSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-5-7(8-3)6(2)9/h4-5H,1-3H3/b5-4-,8-7-.
What are the key properties of (Z)-3-methyliminohex-4-en-2-one?
(Z)-3-methyliminohex-4-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)-3-methyliminohex-4-en-2-one is sourced from PubChem (CID 130306278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).