6-amino-4,5-dihydro-2H-pyridin-3-one

C5H8N2O — CID 123839100

IUPAC6-amino-4,5-dihydro-2H-pyridin-3-one
SMILESNC1=NCC(=O)CC1
InChIInChI=1S/C5H8N2O/c6-5-2-1-4(8)3-7-5/h1-3H2,(H2,6,7)
InChIKeyHQAMBUSNFNCHJH-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.29
Rot. Bonds

About 6-amino-4,5-dihydro-2H-pyridin-3-one

6-amino-4,5-dihydro-2H-pyridin-3-one (PubChem CID 123839100) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 6-amino-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name6-amino-4,5-dihydro-2H-pyridin-3-one
PubChem CID123839100
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name6-amino-4,5-dihydro-2H-pyridin-3-one
SMILESNC1=NCC(=O)CC1
InChIInChI=1S/C5H8N2O/c6-5-2-1-4(8)3-7-5/h1-3H2,(H2,6,7)
InChIKeyHQAMBUSNFNCHJH-UHFFFAOYSA-N
XLogP-0.29
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,6-dihydro-3h-pyridin-4-one
CID 124185360
6-amino-3,4-dihydro-2H-pyridin-5-one;hydrochloride
CID 18428532
2-Amino-5,6-dihydropyridin-3(4H)-one
CID 18428533
6-(hydroxyamino)-3,4-dihydro-2H-pyridin-5-one
CID 22049644
N'-(4-oxopentyl)ethanimidamide
CID 59109217
N'-methanimidoyl-4-oxopentanimidamide
CID 143167677
N'-methyl-5-(methylamino)-4-oxopentanimidamide
CID 164102662

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 6-amino-4,5-dihydro-2H-pyridin-3-one (CID 123839100) is 6-amino-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 6-amino-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 6-amino-4,5-dihydro-2H-pyridin-3-one is NC1=NCC(=O)CC1.
What is the InChIKey of 6-amino-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is HQAMBUSNFNCHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-5-2-1-4(8)3-7-5/h1-3H2,(H2,6,7).
What are the key properties of 6-amino-4,5-dihydro-2H-pyridin-3-one?
6-amino-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 112.13 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 123839100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).