1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone

C19H20O — CID 122390793

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone
SMILESCC(=O)c1c(C2CC3CCC2C3)ccc2ccccc12
InChIInChI=1S/C19H20O/c1-12(20)19-16-5-3-2-4-14(16)8-9-17(19)18-11-13-6-7-15(18)10-13/h2-5,8-9,13,15,18H,6-7,10-11H2,1H3
InChIKeyCIISDYUCVLRPDI-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.95
Rot. Bonds2

About 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone

1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone (PubChem CID 122390793) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone
PubChem CID122390793
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone
SMILESCC(=O)c1c(C2CC3CCC2C3)ccc2ccccc12
InChIInChI=1S/C19H20O/c1-12(20)19-16-5-3-2-4-14(16)8-9-17(19)18-11-13-6-7-15(18)10-13/h2-5,8-9,13,15,18H,6-7,10-11H2,1H3
InChIKeyCIISDYUCVLRPDI-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone 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

2,6-bis(2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 118566261
1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
CID 153281935
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone
CID 141067469
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene
CID 170648879
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
2-[4-[[5-[3-(2-bicyclo[2.2.1]heptanyl)-2-carboxyphenyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclohexyl]-6-(4-methylcyclohexyl)benzoic acid
CID 146264782
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
CID 139946466
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-1-yloxypropanamide
CID 98055966
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-naphthalen-1-ylurea
CID 18285320

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone (CID 122390793) is 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone is CC(=O)c1c(C2CC3CCC2C3)ccc2ccccc12.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone?
The InChIKey is CIISDYUCVLRPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-12(20)19-16-5-3-2-4-14(16)8-9-17(19)18-11-13-6-7-15(18)10-13/h2-5,8-9,13,15,18H,6-7,10-11H2,1H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone?
1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone is sourced from PubChem (CID 122390793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).