trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one

C16H16O — CID 1239839

IUPACtrans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one
SMILESC[C@H]1C[C@H](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/t11-,15-/m0/s1
InChIKeyPOLJERGJUZXYAO-NHYWBVRUSA-N
MW224.30 g/mol
LogP3.92
Rot. Bonds1

About trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one

trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one (PubChem CID 1239839) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one
PubChem CID1239839
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Nametrans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one
SMILESC[C@H]1C[C@H](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/t11-,15-/m0/s1
InChIKeyPOLJERGJUZXYAO-NHYWBVRUSA-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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Related Compounds

2-methyl-4-naphthalen-2-ylcyclopentan-1-one
CID 5080910
(4R)-4-naphthalen-2-yloxolan-2-one
CID 12862871
3-methyl-5-naphthalen-2-ylpiperidine
CID 115375238
3-naphthalen-2-ylazetidine
CID 116962282
2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene
CID 140796680
2-cyclopropylanthracene
CID 91468721
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
N-methyl-4-naphthalen-2-ylcyclohexan-1-amine
CID 116962734
(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
CID 11321352
5-naphthalen-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 155345745

Frequently Asked Questions

What is the IUPAC name of trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one?
The IUPAC name of trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one (CID 1239839) is trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one.
What is the SMILES notation for trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one?
The canonical SMILES for trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one is C[C@H]1C[C@H](c2ccc3ccccc3c2)CC1=O.
What is the InChIKey of trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one?
The InChIKey is POLJERGJUZXYAO-NHYWBVRUSA-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/t11-,15-/m0/s1.
What are the key properties of trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one?
trans-(2S,4S)-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 trans-(2S,4S)-2-methyl-4-naphthalen-2-ylcyclopentan-1-one is sourced from PubChem (CID 1239839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).