[(Z)-butan-2-ylideneamino] butanoate

C8H15NO2 — CID 124647313

IUPAC[(Z)-butan-2-ylideneamino] butanoate
SMILESCCCC(=O)O/N=C(/C)CC
InChIInChI=1S/C8H15NO2/c1-4-6-8(10)11-9-7(3)5-2/h4-6H2,1-3H3/b9-7-
InChIKeyGLFWFUQOSGMOCS-CLFYSBASSA-N
MW157.21 g/mol
LogP2.12
Rot. Bonds4

About [(Z)-butan-2-ylideneamino] butanoate

[(Z)-butan-2-ylideneamino] butanoate (PubChem CID 124647313) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(Z)-butan-2-ylideneamino] butanoate.

Molecular Properties

Compound Name[(Z)-butan-2-ylideneamino] butanoate
PubChem CID124647313
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(Z)-butan-2-ylideneamino] butanoate
SMILESCCCC(=O)O/N=C(/C)CC
InChIInChI=1S/C8H15NO2/c1-4-6-8(10)11-9-7(3)5-2/h4-6H2,1-3H3/b9-7-
InChIKeyGLFWFUQOSGMOCS-CLFYSBASSA-N
XLogP2.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-butan-2-ylideneamino] butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-butan-2-ylideneamino] butanoate?
The IUPAC name of [(Z)-butan-2-ylideneamino] butanoate (CID 124647313) is [(Z)-butan-2-ylideneamino] butanoate.
What is the SMILES notation for [(Z)-butan-2-ylideneamino] butanoate?
The canonical SMILES for [(Z)-butan-2-ylideneamino] butanoate is CCCC(=O)O/N=C(/C)CC.
What is the InChIKey of [(Z)-butan-2-ylideneamino] butanoate?
The InChIKey is GLFWFUQOSGMOCS-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6-8(10)11-9-7(3)5-2/h4-6H2,1-3H3/b9-7-.
What are the key properties of [(Z)-butan-2-ylideneamino] butanoate?
[(Z)-butan-2-ylideneamino] butanoate has a molecular weight of 157.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-butan-2-ylideneamino] butanoate is sourced from PubChem (CID 124647313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).