1-amino-5-iminopentan-2-one

C5H10N2O — CID 163887647

IUPAC1-amino-5-iminopentan-2-one
SMILES[H]/N=C/CCC(=O)CN
InChIInChI=1S/C5H10N2O/c6-3-1-2-5(8)4-7/h3,6H,1-2,4,7H2/b6-3+
InChIKeyPLGYXFCXXCHZHQ-ZZXKWVIFSA-N
MW114.15 g/mol
LogP-0.06
Rot. Bonds4

About 1-amino-5-iminopentan-2-one

1-amino-5-iminopentan-2-one (PubChem CID 163887647) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-amino-5-iminopentan-2-one.

Molecular Properties

Compound Name1-amino-5-iminopentan-2-one
PubChem CID163887647
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1-amino-5-iminopentan-2-one
SMILES[H]/N=C/CCC(=O)CN
InChIInChI=1S/C5H10N2O/c6-3-1-2-5(8)4-7/h3,6H,1-2,4,7H2/b6-3+
InChIKeyPLGYXFCXXCHZHQ-ZZXKWVIFSA-N
XLogP-0.06
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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_1', 'substructure': 'N/A'}

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Related Compounds

1,2-Diamino-5-iminopentan-3-one
CID 122172832
1,5-Diiminopentan-3-one
CID 53701329
1,5-Diiminopentan-2-one
CID 140330980
3-Amino-1,6-diiminohexan-2-one
CID 140346678
1-Amino-5-iminopentan-2-one;carbanide;uranium(2+)
CID 163887646
5-Imino-1-(methylamino)pentan-2-one
CID 163516564

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-iminopentan-2-one?
The IUPAC name of 1-amino-5-iminopentan-2-one (CID 163887647) is 1-amino-5-iminopentan-2-one.
What is the SMILES notation for 1-amino-5-iminopentan-2-one?
The canonical SMILES for 1-amino-5-iminopentan-2-one is [H]/N=C/CCC(=O)CN.
What is the InChIKey of 1-amino-5-iminopentan-2-one?
The InChIKey is PLGYXFCXXCHZHQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H10N2O/c6-3-1-2-5(8)4-7/h3,6H,1-2,4,7H2/b6-3+.
What are the key properties of 1-amino-5-iminopentan-2-one?
1-amino-5-iminopentan-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-iminopentan-2-one is sourced from PubChem (CID 163887647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).