6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one

C34H32N4O2 — CID 139095103

IUPAC6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one
SMILESO=c1cccc([C@@H]2C[C@H]3C=C[C@@H]2C3)n1-c1ccccn1.O=c1cccc([C@H]2C[C@@H]3C=C[C@H]2C3)n1-c1ccccn1
InChIInChI=1S/2C17H16N2O/c2*20-17-6-3-4-15(14-11-12-7-8-13(14)10-12)19(17)16-5-1-2-9-18-16/h2*1-9,12-14H,10-11H2/t2*12-,13+,14+/m10/s1
InChIKeyWRDQTCQSWSSSCY-BBQRGJJOSA-N
MW528.66 g/mol
LogP5.82
Rot. Bonds4

About 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one

6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one (PubChem CID 139095103) has the molecular formula C34H32N4O2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one
PubChem CID139095103
Molecular FormulaC34H32N4O2
Molecular Weight528.66 g/mol
Exact Mass528.25
IUPAC Name6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one
SMILESO=c1cccc([C@@H]2C[C@H]3C=C[C@@H]2C3)n1-c1ccccn1.O=c1cccc([C@H]2C[C@@H]3C=C[C@H]2C3)n1-c1ccccn1
InChIInChI=1S/2C17H16N2O/c2*20-17-6-3-4-15(14-11-12-7-8-13(14)10-12)19(17)16-5-1-2-9-18-16/h2*1-9,12-14H,10-11H2/t2*12-,13+,14+/m10/s1
InChIKeyWRDQTCQSWSSSCY-BBQRGJJOSA-N
XLogP5.82
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-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

6-cyclopentyl-1-pyridin-2-ylpyridin-2-one
CID 178081600
6-cyclohexyl-1-pyridin-2-ylpyridin-2-one
CID 178081614
(1R,2S,6R,7R)-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23308558
(1R,2S,6R,7S)-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6950417
(1S,4R,5S)-5-phenylbicyclo[2.2.1]hept-2-ene
CID 98052947
3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione
CID 175968865
4-pyridin-2-yl-1,2,4-dithiazolidine-3,5-dione
CID 163929369
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine
CID 18541294
4-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]pyridine
CID 58543813
2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione
CID 22573145
4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 23823306
1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one
CID 178081601

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one?
The IUPAC name of 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one (CID 139095103) is 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one is O=c1cccc([C@@H]2C[C@H]3C=C[C@@H]2C3)n1-c1ccccn1.O=c1cccc([C@H]2C[C@@H]3C=C[C@H]2C3)n1-c1ccccn1.
What is the InChIKey of 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one?
The InChIKey is WRDQTCQSWSSSCY-BBQRGJJOSA-N. The full InChI is InChI=1S/2C17H16N2O/c2*20-17-6-3-4-15(14-11-12-7-8-13(14)10-12)19(17)16-5-1-2-9-18-16/h2*1-9,12-14H,10-11H2/t2*12-,13+,14+/m10/s1.
What are the key properties of 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one?
6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one has a molecular weight of 528.66 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one;6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 139095103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).