4-amino-3,4-dihydro-1H-pyridin-2-one

C5H8N2O — CID 3757519

IUPAC4-amino-3,4-dihydro-1H-pyridin-2-one
SMILESNC1C=CNC(=O)C1
InChIInChI=1S/C5H8N2O/c6-4-1-2-7-5(8)3-4/h1-2,4H,3,6H2,(H,7,8)
InChIKeyVJLPHUMLMPLVMC-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.65
Rot. Bonds

About 4-amino-3,4-dihydro-1H-pyridin-2-one

4-amino-3,4-dihydro-1H-pyridin-2-one (PubChem CID 3757519) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-amino-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3,4-dihydro-1H-pyridin-2-one
PubChem CID3757519
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name4-amino-3,4-dihydro-1H-pyridin-2-one
SMILESNC1C=CNC(=O)C1
InChIInChI=1S/C5H8N2O/c6-4-1-2-7-5(8)3-4/h1-2,4H,3,6H2,(H,7,8)
InChIKeyVJLPHUMLMPLVMC-UHFFFAOYSA-N
XLogP-0.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 4-amino-3,4-dihydro-1H-pyridin-2-one (CID 3757519) is 4-amino-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 4-amino-3,4-dihydro-1H-pyridin-2-one is NC1C=CNC(=O)C1.
What is the InChIKey of 4-amino-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is VJLPHUMLMPLVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-4-1-2-7-5(8)3-4/h1-2,4H,3,6H2,(H,7,8).
What are the key properties of 4-amino-3,4-dihydro-1H-pyridin-2-one?
4-amino-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 112.13 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 3757519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).