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

C5H9NO — CID 5355751

IUPAC(Z)-4-aminopent-3-en-2-one
SMILESCC(=O)/C=C(/C)N
InChIInChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3-
InChIKeyOSLAYKKXCYSJSF-ARJAWSKDSA-N
MW99.13 g/mol
LogP0.44
Rot. Bonds1

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

(Z)-4-aminopent-3-en-2-one (PubChem CID 5355751) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (Z)-4-aminopent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-aminopent-3-en-2-one
PubChem CID5355751
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(Z)-4-aminopent-3-en-2-one
SMILESCC(=O)/C=C(/C)N
InChIInChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3-
InChIKeyOSLAYKKXCYSJSF-ARJAWSKDSA-N
XLogP0.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-aminopent-3-en-2-one?
The IUPAC name of (Z)-4-aminopent-3-en-2-one (CID 5355751) is (Z)-4-aminopent-3-en-2-one.
What is the SMILES notation for (Z)-4-aminopent-3-en-2-one?
The canonical SMILES for (Z)-4-aminopent-3-en-2-one is CC(=O)/C=C(/C)N.
What is the InChIKey of (Z)-4-aminopent-3-en-2-one?
The InChIKey is OSLAYKKXCYSJSF-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3-.
What are the key properties of (Z)-4-aminopent-3-en-2-one?
(Z)-4-aminopent-3-en-2-one has a molecular weight of 99.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-aminopent-3-en-2-one is sourced from PubChem (CID 5355751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).