2-methyl-4-naphthalen-2-ylcyclopentan-1-one

C16H16O — CID 5080910

IUPAC2-methyl-4-naphthalen-2-ylcyclopentan-1-one
SMILESCC1CC(c2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C16H16O/c1-11-8-15(10-16(11)17)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3
InChIKeyPOLJERGJUZXYAO-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.92
Rot. Bonds1

About 2-methyl-4-naphthalen-2-ylcyclopentan-1-one

2-methyl-4-naphthalen-2-ylcyclopentan-1-one (PubChem CID 5080910) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-4-naphthalen-2-ylcyclopentan-1-one
PubChem CID5080910
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2-methyl-4-naphthalen-2-ylcyclopentan-1-one
SMILESCC1CC(c2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C16H16O/c1-11-8-15(10-16(11)17)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3
InChIKeyPOLJERGJUZXYAO-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-2-ylcyclopentan-1-one?
The IUPAC name of 2-methyl-4-naphthalen-2-ylcyclopentan-1-one (CID 5080910) is 2-methyl-4-naphthalen-2-ylcyclopentan-1-one.
What is the SMILES notation for 2-methyl-4-naphthalen-2-ylcyclopentan-1-one?
The canonical SMILES for 2-methyl-4-naphthalen-2-ylcyclopentan-1-one is CC1CC(c2ccc3ccccc3c2)CC1=O.
What is the InChIKey of 2-methyl-4-naphthalen-2-ylcyclopentan-1-one?
The InChIKey is POLJERGJUZXYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-11-8-15(10-16(11)17)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3.
What are the key properties of 2-methyl-4-naphthalen-2-ylcyclopentan-1-one?
2-methyl-4-naphthalen-2-ylcyclopentan-1-one has a molecular weight of 224.30 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-2-ylcyclopentan-1-one is sourced from PubChem (CID 5080910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).