6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride

C8H12ClNO — CID 174561179

IUPAC6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride
SMILESCCC1=NC(C)C(=O)C=C1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-3-7-4-5-8(10)6(2)9-7;/h4-6H,3H2,1-2H3;1H
InChIKeyGIGBTCVFXVOPBA-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.79
Rot. Bonds1

About 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride

6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride (PubChem CID 174561179) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride
PubChem CID174561179
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride
SMILESCCC1=NC(C)C(=O)C=C1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-3-7-4-5-8(10)6(2)9-7;/h4-6H,3H2,1-2H3;1H
InChIKeyGIGBTCVFXVOPBA-UHFFFAOYSA-N
XLogP1.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride?
The IUPAC name of 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride (CID 174561179) is 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride.
What is the SMILES notation for 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride?
The canonical SMILES for 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride is CCC1=NC(C)C(=O)C=C1.Cl.
What is the InChIKey of 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride?
The InChIKey is GIGBTCVFXVOPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-3-7-4-5-8(10)6(2)9-7;/h4-6H,3H2,1-2H3;1H.
What are the key properties of 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride?
6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-2H-pyridin-3-one;hydrochloride is sourced from PubChem (CID 174561179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).