1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one

C15H21NO2 — CID 82212027

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C(C)C1CC2CCC1C2
InChIInChI=1S/C15H21NO2/c1-9(13-8-11-3-4-12(13)7-11)16-6-5-14(17)15(18)10(16)2/h5-6,9,11-13,18H,3-4,7-8H2,1-2H3
InChIKeyQKFPAPWOXIQSEO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds2

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one (PubChem CID 82212027) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one
PubChem CID82212027
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C(C)C1CC2CCC1C2
InChIInChI=1S/C15H21NO2/c1-9(13-8-11-3-4-12(13)7-11)16-6-5-14(17)15(18)10(16)2/h5-6,9,11-13,18H,3-4,7-8H2,1-2H3
InChIKeyQKFPAPWOXIQSEO-UHFFFAOYSA-N
XLogP2.86
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
CID 98294882
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465891
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine
CID 106557738
7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337023
2-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 43148499
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 79874205
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186158
1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186157
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one
CID 83239179
6-amino-1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyrimidine-2,4-dione
CID 98243165
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylimidazolidin-4-one
CID 83237826
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one (CID 82212027) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1C(C)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is QKFPAPWOXIQSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9(13-8-11-3-4-12(13)7-11)16-6-5-14(17)15(18)10(16)2/h5-6,9,11-13,18H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 247.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 82212027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).