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

C5H9ClN2O — CID 66894507

IUPAC3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride
SMILESCl.NC1CC=CNC1=O
InChIInChI=1S/C5H8N2O.ClH/c6-4-2-1-3-7-5(4)8;/h1,3-4H,2,6H2,(H,7,8);1H
InChIKeyLLKUDEFMWZAKNR-UHFFFAOYSA-N
MW148.59 g/mol
LogP-0.23
Rot. Bonds

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

3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride (PubChem CID 66894507) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is 3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride
PubChem CID66894507
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride
SMILESCl.NC1CC=CNC1=O
InChIInChI=1S/C5H8N2O.ClH/c6-4-2-1-3-7-5(4)8;/h1,3-4H,2,6H2,(H,7,8);1H
InChIKeyLLKUDEFMWZAKNR-UHFFFAOYSA-N
XLogP-0.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3,4-dihydropyridinone
CID 57740828
(2S)-2,3-dihydro-1H-pyrrole-2-carboxamide
CID 89720845
3-amino-5-fluoro-3,4-dihydro-1H-pyridin-2-one
CID 137457807
4-amino-3,4-dihydro-1H-pyridin-2-one
CID 3757519
3-Isocyano dihydropyridone
CID 129707021
3-Amino-(thioxo)methyl-3,4-dihydropyridin-2(1h)-one
CID 129740687
2,3-dihydro-1H-pyrrole-2-carboxamide
CID 19068010
3-amino-4-sulfanylidene-1H-pyridin-2-one
CID 21660354
3-Amino-1,3-dihydropyrrol-2-one
CID 54144952
2-amino-N-methylpent-4-enamide
CID 55285317
N-propan-2-yl-2,3-dihydro-1H-pyrrole-2-carboxamide
CID 57886606
2-Aminohex-5-enoyl(methanidyl)azanium
CID 58668140

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride (CID 66894507) is 3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride is Cl.NC1CC=CNC1=O.
What is the InChIKey of 3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride?
The InChIKey is LLKUDEFMWZAKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c6-4-2-1-3-7-5(4)8;/h1,3-4H,2,6H2,(H,7,8);1H.
What are the key properties of 3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride?
3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dihydro-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 66894507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).