3-methyl-3-naphthalen-2-ylcyclopentan-1-one

C16H16O — CID 116538503

IUPAC3-methyl-3-naphthalen-2-ylcyclopentan-1-one
SMILESCC1(c2ccc3ccccc3c2)CCC(=O)C1
InChIInChI=1S/C16H16O/c1-16(9-8-15(17)11-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3
InChIKeyQFDDWFLJAXUOKF-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.85
Rot. Bonds1

About 3-methyl-3-naphthalen-2-ylcyclopentan-1-one

3-methyl-3-naphthalen-2-ylcyclopentan-1-one (PubChem CID 116538503) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-methyl-3-naphthalen-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-naphthalen-2-ylcyclopentan-1-one
PubChem CID116538503
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3-methyl-3-naphthalen-2-ylcyclopentan-1-one
SMILESCC1(c2ccc3ccccc3c2)CCC(=O)C1
InChIInChI=1S/C16H16O/c1-16(9-8-15(17)11-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3
InChIKeyQFDDWFLJAXUOKF-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-methylcyclopropyl)naphthalene
CID 10511657
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
3-(3,4-diethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538472
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one
CID 114520131
3-methyl-3-pyrimidin-5-ylcyclopentan-1-one
CID 116538385
(2S)-2-hydroxy-2-naphthalen-2-ylcyclopentan-1-one
CID 102347696
3-methyl-3-(5-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538519
1-naphthalen-2-ylcyclopropan-1-amine
CID 12982597
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
2,7-bis(1-methylcyclohexyl)anthracene
CID 58371033
3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine
CID 80705364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-naphthalen-2-ylcyclopentan-1-one?
The IUPAC name of 3-methyl-3-naphthalen-2-ylcyclopentan-1-one (CID 116538503) is 3-methyl-3-naphthalen-2-ylcyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-naphthalen-2-ylcyclopentan-1-one?
The canonical SMILES for 3-methyl-3-naphthalen-2-ylcyclopentan-1-one is CC1(c2ccc3ccccc3c2)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-naphthalen-2-ylcyclopentan-1-one?
The InChIKey is QFDDWFLJAXUOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-16(9-8-15(17)11-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 3-methyl-3-naphthalen-2-ylcyclopentan-1-one?
3-methyl-3-naphthalen-2-ylcyclopentan-1-one has a molecular weight of 224.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-naphthalen-2-ylcyclopentan-1-one is sourced from PubChem (CID 116538503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).