3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one

C12H15NO — CID 19748684

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1CC2CCC1C2
InChIInChI=1S/C12H15NO/c14-12-10(2-1-5-13-12)11-7-8-3-4-9(11)6-8/h1-2,5,8-9,11H,3-4,6-7H2,(H,13,14)
InChIKeyBWSOCEZUTRRFOR-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.28
Rot. Bonds1

About 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one

3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one (PubChem CID 19748684) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
PubChem CID19748684
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1CC2CCC1C2
InChIInChI=1S/C12H15NO/c14-12-10(2-1-5-13-12)11-7-8-3-4-9(11)6-8/h1-2,5,8-9,11H,3-4,6-7H2,(H,13,14)
InChIKeyBWSOCEZUTRRFOR-UHFFFAOYSA-N
XLogP2.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one
CID 68788843
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
2,6-bis(2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 118566261
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
3-cyclohexyl-1H-pyridin-2-one
CID 54127669
(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
CID 16687687
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene
CID 170648879
1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole
CID 122203491
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole
CID 106985399
2-(2-tert-butyl-3-methylphenyl)bicyclo[2.2.1]heptane
CID 169322208

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one (CID 19748684) is 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one is O=c1[nH]cccc1C1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one?
The InChIKey is BWSOCEZUTRRFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-10(2-1-5-13-12)11-7-8-3-4-9(11)6-8/h1-2,5,8-9,11H,3-4,6-7H2,(H,13,14).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one?
3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one is sourced from PubChem (CID 19748684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).