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

C5H8ClNO — CID 122625209

IUPAC3,4-dihydro-1H-pyridin-2-one;hydrochloride
SMILESCl.O=C1CCC=CN1
InChIInChI=1S/C5H7NO.ClH/c7-5-3-1-2-4-6-5;/h2,4H,1,3H2,(H,6,7);1H
InChIKeyCDVTVFYEPONABC-UHFFFAOYSA-N
MW133.58 g/mol
LogP0.83
Rot. Bonds

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

3,4-dihydro-1H-pyridin-2-one;hydrochloride (PubChem CID 122625209) has the molecular formula C5H8ClNO and a molecular weight of 133.58 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-1H-pyridin-2-one;hydrochloride
PubChem CID122625209
Molecular FormulaC5H8ClNO
Molecular Weight133.58 g/mol
Exact Mass133.03
IUPAC Name3,4-dihydro-1H-pyridin-2-one;hydrochloride
SMILESCl.O=C1CCC=CN1
InChIInChI=1S/C5H7NO.ClH/c7-5-3-1-2-4-6-5;/h2,4H,1,3H2,(H,6,7);1H
InChIKeyCDVTVFYEPONABC-UHFFFAOYSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3,4-dihydro-1H-pyridin-2-one;hydrochloride (CID 122625209) is 3,4-dihydro-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3,4-dihydro-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3,4-dihydro-1H-pyridin-2-one;hydrochloride is Cl.O=C1CCC=CN1.
What is the InChIKey of 3,4-dihydro-1H-pyridin-2-one;hydrochloride?
The InChIKey is CDVTVFYEPONABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.ClH/c7-5-3-1-2-4-6-5;/h2,4H,1,3H2,(H,6,7);1H.
What are the key properties of 3,4-dihydro-1H-pyridin-2-one;hydrochloride?
3,4-dihydro-1H-pyridin-2-one;hydrochloride has a molecular weight of 133.58 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 122625209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).