3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride

C12H15ClN2O — CID 11572252

IUPAC3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride
SMILESCCc1cc(-n2cccc2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-3-10-8-11(9(2)13-12(10)15)14-6-4-5-7-14;/h4-8H,3H2,1-2H3,(H,13,15);1H
InChIKeyBXCRAUMEVVPJDU-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.46
Rot. Bonds2

About 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride

3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride (PubChem CID 11572252) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride
PubChem CID11572252
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride
SMILESCCc1cc(-n2cccc2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-3-10-8-11(9(2)13-12(10)15)14-6-4-5-7-14;/h4-8H,3H2,1-2H3,(H,13,15);1H
InChIKeyBXCRAUMEVVPJDU-UHFFFAOYSA-N
XLogP2.46
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride (CID 11572252) is 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride is CCc1cc(-n2cccc2)c(C)[nH]c1=O.Cl.
What is the InChIKey of 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride?
The InChIKey is BXCRAUMEVVPJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c1-3-10-8-11(9(2)13-12(10)15)14-6-4-5-7-14;/h4-8H,3H2,1-2H3,(H,13,15);1H.
What are the key properties of 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride?
3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-5-pyrrol-1-yl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 11572252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).