1-amino-2,3-dihydropyridin-6-one

C5H8N2O — CID 57456894

IUPAC1-amino-2,3-dihydropyridin-6-one
SMILESNN1CCC=CC1=O
InChIInChI=1S/C5H8N2O/c6-7-4-2-1-3-5(7)8/h1,3H,2,4,6H2
InChIKeyNTDVDSCBAVYFCR-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.35
Rot. Bonds

About 1-amino-2,3-dihydropyridin-6-one

1-amino-2,3-dihydropyridin-6-one (PubChem CID 57456894) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-amino-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-amino-2,3-dihydropyridin-6-one
PubChem CID57456894
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-amino-2,3-dihydropyridin-6-one
SMILESNN1CCC=CC1=O
InChIInChI=1S/C5H8N2O/c6-7-4-2-1-3-5(7)8/h1,3H,2,4,6H2
InChIKeyNTDVDSCBAVYFCR-UHFFFAOYSA-N
XLogP-0.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dihydropyridin-6-one?
The IUPAC name of 1-amino-2,3-dihydropyridin-6-one (CID 57456894) is 1-amino-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-amino-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-amino-2,3-dihydropyridin-6-one is NN1CCC=CC1=O.
What is the InChIKey of 1-amino-2,3-dihydropyridin-6-one?
The InChIKey is NTDVDSCBAVYFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-7-4-2-1-3-5(7)8/h1,3H,2,4,6H2.
What are the key properties of 1-amino-2,3-dihydropyridin-6-one?
1-amino-2,3-dihydropyridin-6-one has a molecular weight of 112.13 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dihydropyridin-6-one is sourced from PubChem (CID 57456894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).