5-aminopent-3-en-2-one

C5H9NO — CID 57281175

IUPAC5-aminopent-3-en-2-one
SMILESCC(=O)C=CCN
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3H,4,6H2,1H3
InChIKeyLVBPABVEFXTQPJ-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.09
Rot. Bonds2

About 5-aminopent-3-en-2-one

5-aminopent-3-en-2-one (PubChem CID 57281175) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 5-aminopent-3-en-2-one.

Molecular Properties

Compound Name5-aminopent-3-en-2-one
PubChem CID57281175
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name5-aminopent-3-en-2-one
SMILESCC(=O)C=CCN
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3H,4,6H2,1H3
InChIKeyLVBPABVEFXTQPJ-UHFFFAOYSA-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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Related Compounds

4-Aminocyclohexa-2,5-dien-1-one
CID 172407955
CID 19779201
CID 19779201
Amino-3penten-2-one
CID 57282710
Glycylallylamin
CID 129628528
Aminohexenone
CID 129803355
5-Amino-1,1,1-trifluoropent-3-en-2-one
CID 123464794
1,1,1-Trifluoro-5-(methylamino)pent-3-en-2-one
CID 123529294
(E)-1-amino-1-fluoropent-3-en-2-one
CID 140601782
(E)-5-(2-fluoroethylamino)pent-3-en-2-one
CID 177231063
(E)-5-(methylamino)hex-3-en-2-one
CID 20683668
(E)-1-aminopent-3-en-2-one
CID 21475702
(E)-6-aminohex-4-en-2-one
CID 21966676

Frequently Asked Questions

What is the IUPAC name of 5-aminopent-3-en-2-one?
The IUPAC name of 5-aminopent-3-en-2-one (CID 57281175) is 5-aminopent-3-en-2-one.
What is the SMILES notation for 5-aminopent-3-en-2-one?
The canonical SMILES for 5-aminopent-3-en-2-one is CC(=O)C=CCN.
What is the InChIKey of 5-aminopent-3-en-2-one?
The InChIKey is LVBPABVEFXTQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3H,4,6H2,1H3.
What are the key properties of 5-aminopent-3-en-2-one?
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 5-aminopent-3-en-2-one is sourced from PubChem (CID 57281175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).