1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone

C17H16O — CID 103447987

IUPAC1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)C1=CCCC1
InChIInChI=1S/C17H16O/c18-17(14-7-1-2-8-14)12-15-10-5-9-13-6-3-4-11-16(13)15/h3-7,9-11H,1-2,8,12H2
InChIKeyNYORMTKEABCJCV-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.06
Rot. Bonds3

About 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone

1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone (PubChem CID 103447987) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone
PubChem CID103447987
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)C1=CCCC1
InChIInChI=1S/C17H16O/c18-17(14-7-1-2-8-14)12-15-10-5-9-13-6-3-4-11-16(13)15/h3-7,9-11H,1-2,8,12H2
InChIKeyNYORMTKEABCJCV-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450421
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
CID 103450531
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
CID 103450496

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone (CID 103447987) is 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone is O=C(Cc1cccc2ccccc12)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone?
The InChIKey is NYORMTKEABCJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-17(14-7-1-2-8-14)12-15-10-5-9-13-6-3-4-11-16(13)15/h3-7,9-11H,1-2,8,12H2.
What are the key properties of 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone?
1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone has a molecular weight of 236.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 103447987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).