4-amino-3-iminopentan-2-one

C5H10N2O — CID 123839236

IUPAC4-amino-3-iminopentan-2-one
SMILES[H]/N=C(\C(C)=O)C(C)N
InChIInChI=1S/C5H10N2O/c1-3(6)5(7)4(2)8/h3,7H,6H2,1-2H3/b7-5-
InChIKeyCAVCDGVDTBLMKS-ALCCZGGFSA-N
MW114.15 g/mol
LogP-0.06
Rot. Bonds2

About 4-amino-3-iminopentan-2-one

4-amino-3-iminopentan-2-one (PubChem CID 123839236) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 4-amino-3-iminopentan-2-one.

Molecular Properties

Compound Name4-amino-3-iminopentan-2-one
PubChem CID123839236
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name4-amino-3-iminopentan-2-one
SMILES[H]/N=C(\C(C)=O)C(C)N
InChIInChI=1S/C5H10N2O/c1-3(6)5(7)4(2)8/h3,7H,6H2,1-2H3/b7-5-
InChIKeyCAVCDGVDTBLMKS-ALCCZGGFSA-N
XLogP-0.06
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(2-Aminoethyl)imino]pentan-2-one
CID 15433381
4-Amino-3-iminobutan-2-one
CID 57311270
4-Amino-3-methyliminopentan-2-one
CID 123465200
4-Amino-2-iminoheptan-3-one
CID 123787114
3-Amino-2-iminocyclobutan-1-one
CID 123819658
5-Amino-4-iminohex-1-yn-3-one
CID 123985950
3-Amino-2-iminobutanamide
CID 123991333
3-Amino-4-iminopentan-2-one;ethane;methanamine
CID 143689652
1-Amino-2-iminopentan-3-one
CID 156063354
2-Amino-1-(3-methyl-2,3-dihydro-1,2,5-thiadiazol-4-yl)ethanone
CID 156370051
6-Amino-5-iminohexan-3-one
CID 156524550
3-Aminopentan-2-one;methane;pentan-3-imine
CID 162124306

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-iminopentan-2-one?
The IUPAC name of 4-amino-3-iminopentan-2-one (CID 123839236) is 4-amino-3-iminopentan-2-one.
What is the SMILES notation for 4-amino-3-iminopentan-2-one?
The canonical SMILES for 4-amino-3-iminopentan-2-one is [H]/N=C(\C(C)=O)C(C)N.
What is the InChIKey of 4-amino-3-iminopentan-2-one?
The InChIKey is CAVCDGVDTBLMKS-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3(6)5(7)4(2)8/h3,7H,6H2,1-2H3/b7-5-.
What are the key properties of 4-amino-3-iminopentan-2-one?
4-amino-3-iminopentan-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-iminopentan-2-one is sourced from PubChem (CID 123839236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).