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

C5H9NO — CID 5367854

IUPAC(E)-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-ONEGZZNKSA-N
MW99.13 g/mol
LogP0.44
Rot. Bonds1

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

(E)-4-aminopent-3-en-2-one (PubChem CID 5367854) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (E)-4-aminopent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-aminopent-3-en-2-one
PubChem CID5367854
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(E)-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-ONEGZZNKSA-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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Related Compounds

2,6-Dimethyl-4-pyridinol
CID 83609
(3Z)-4-Amino-3-penten-2-one
CID 5355751
4-Amino-3-penten-2-one
CID 136873
3-Amino-2,6-dimethylpyridin-4-ol
CID 586556
(Z)-4-(methylamino)pent-3-en-2-one
CID 5379102
(3Z)-4-Amino-1,1,1-trifluoropent-3-en-2-one
CID 12586193
4-Amino-1,1,1-trifluoro-3-penten-2-one
CID 57366078
4-Methylaminopent-3-en-2-one
CID 566954
4-Amino-1,1-difluoro-3-penten-2-one
CID 76223783
(Z)-5-amino-2-methylhex-4-en-3-one
CID 13625321
2,6-Diethylpyridin-4(1H)-one
CID 14950478
(4Z)-5-amino-4-hexen-3-one
CID 21779933

Frequently Asked Questions

What is the IUPAC name of (E)-4-aminopent-3-en-2-one?
The IUPAC name of (E)-4-aminopent-3-en-2-one (CID 5367854) is (E)-4-aminopent-3-en-2-one.
What is the SMILES notation for (E)-4-aminopent-3-en-2-one?
The canonical SMILES for (E)-4-aminopent-3-en-2-one is CC(=O)/C=C(\C)N.
What is the InChIKey of (E)-4-aminopent-3-en-2-one?
The InChIKey is OSLAYKKXCYSJSF-ONEGZZNKSA-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 (E)-4-aminopent-3-en-2-one?
(E)-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 (E)-4-aminopent-3-en-2-one is sourced from PubChem (CID 5367854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).