1-cyclopentyl-3-naphthalen-1-ylpropan-2-one

C18H20O — CID 61055471

IUPAC1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
SMILESO=C(Cc1cccc2ccccc12)CC1CCCC1
InChIInChI=1S/C18H20O/c19-17(12-14-6-1-2-7-14)13-16-10-5-9-15-8-3-4-11-18(15)16/h3-5,8-11,14H,1-2,6-7,12-13H2
InChIKeyMNTRJYSNDLQGCO-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.53
Rot. Bonds4

About 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one

1-cyclopentyl-3-naphthalen-1-ylpropan-2-one (PubChem CID 61055471) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
PubChem CID61055471
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
SMILESO=C(Cc1cccc2ccccc12)CC1CCCC1
InChIInChI=1S/C18H20O/c19-17(12-14-6-1-2-7-14)13-16-10-5-9-15-8-3-4-11-18(15)16/h3-5,8-11,14H,1-2,6-7,12-13H2
InChIKeyMNTRJYSNDLQGCO-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylpropan-2-one
CID 105087928
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one
CID 103543638
1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
CID 116596015
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
CID 114458055
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792473

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one?
The IUPAC name of 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one (CID 61055471) is 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one?
The canonical SMILES for 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one is O=C(Cc1cccc2ccccc12)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one?
The InChIKey is MNTRJYSNDLQGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c19-17(12-14-6-1-2-7-14)13-16-10-5-9-15-8-3-4-11-18(15)16/h3-5,8-11,14H,1-2,6-7,12-13H2.
What are the key properties of 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one?
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one has a molecular weight of 252.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-naphthalen-1-ylpropan-2-one is sourced from PubChem (CID 61055471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).