(Z)-4-(ethylideneamino)hex-4-en-3-one

C8H13NO — CID 90883105

IUPAC(Z)-4-(ethylideneamino)hex-4-en-3-one
SMILESC/C=C(\N=C\C)C(=O)CC
InChIInChI=1S/C8H13NO/c1-4-7(9-6-3)8(10)5-2/h4,6H,5H2,1-3H3/b7-4-,9-6+
InChIKeyQHGBWMHVFROHIL-WCXGJSBASA-N
MW139.20 g/mol
LogP1.96
Rot. Bonds3

About (Z)-4-(ethylideneamino)hex-4-en-3-one

(Z)-4-(ethylideneamino)hex-4-en-3-one (PubChem CID 90883105) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-4-(ethylideneamino)hex-4-en-3-one.

Molecular Properties

Compound Name(Z)-4-(ethylideneamino)hex-4-en-3-one
PubChem CID90883105
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(Z)-4-(ethylideneamino)hex-4-en-3-one
SMILESC/C=C(\N=C\C)C(=O)CC
InChIInChI=1S/C8H13NO/c1-4-7(9-6-3)8(10)5-2/h4,6H,5H2,1-3H3/b7-4-,9-6+
InChIKeyQHGBWMHVFROHIL-WCXGJSBASA-N
XLogP1.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.96
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)-4-(ethylideneamino)hex-4-en-3-one?
The IUPAC name of (Z)-4-(ethylideneamino)hex-4-en-3-one (CID 90883105) is (Z)-4-(ethylideneamino)hex-4-en-3-one.
What is the SMILES notation for (Z)-4-(ethylideneamino)hex-4-en-3-one?
The canonical SMILES for (Z)-4-(ethylideneamino)hex-4-en-3-one is C/C=C(\N=C\C)C(=O)CC.
What is the InChIKey of (Z)-4-(ethylideneamino)hex-4-en-3-one?
The InChIKey is QHGBWMHVFROHIL-WCXGJSBASA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7(9-6-3)8(10)5-2/h4,6H,5H2,1-3H3/b7-4-,9-6+.
What are the key properties of (Z)-4-(ethylideneamino)hex-4-en-3-one?
(Z)-4-(ethylideneamino)hex-4-en-3-one has a molecular weight of 139.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylideneamino)hex-4-en-3-one is sourced from PubChem (CID 90883105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).