(E)-5-aminopent-3-en-2-one

C5H9NO — CID 144571832

IUPAC(E)-5-aminopent-3-en-2-one
SMILESCC(=O)/C=C/CN
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3H,4,6H2,1H3/b3-2+
InChIKeyLVBPABVEFXTQPJ-NSCUHMNNSA-N
MW99.13 g/mol
LogP0.09
Rot. Bonds2

About (E)-5-aminopent-3-en-2-one

(E)-5-aminopent-3-en-2-one (PubChem CID 144571832) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (E)-5-aminopent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-aminopent-3-en-2-one
PubChem CID144571832
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(E)-5-aminopent-3-en-2-one
SMILESCC(=O)/C=C/CN
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3H,4,6H2,1H3/b3-2+
InChIKeyLVBPABVEFXTQPJ-NSCUHMNNSA-N
XLogP0.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.09
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 (E)-5-aminopent-3-en-2-one?
The IUPAC name of (E)-5-aminopent-3-en-2-one (CID 144571832) is (E)-5-aminopent-3-en-2-one.
What is the SMILES notation for (E)-5-aminopent-3-en-2-one?
The canonical SMILES for (E)-5-aminopent-3-en-2-one is CC(=O)/C=C/CN.
What is the InChIKey of (E)-5-aminopent-3-en-2-one?
The InChIKey is LVBPABVEFXTQPJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3H,4,6H2,1H3/b3-2+.
What are the key properties of (E)-5-aminopent-3-en-2-one?
(E)-5-aminopent-3-en-2-one has a molecular weight of 99.13 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-aminopent-3-en-2-one is sourced from PubChem (CID 144571832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).