1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone

C16H16O — CID 61055472

IUPAC1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
SMILESCC1CC1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H16O/c1-11-9-15(11)16(17)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,15H,9-10H2,1H3
InChIKeyCKSGFRJFXRUGQR-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.61
Rot. Bonds3

About 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone

1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone (PubChem CID 61055472) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
PubChem CID61055472
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
SMILESCC1CC1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H16O/c1-11-9-15(11)16(17)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,15H,9-10H2,1H3
InChIKeyCKSGFRJFXRUGQR-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-methyl-N'-(2-naphthalen-1-ylacetyl)cyclopropane-1-carbohydrazide
CID 42386223
1-(3,5-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 105105139
1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 105105273
1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116560533
1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 65393715
2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 65420161
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-naphthalen-1-ylethanone
CID 171948945
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
N-(3-methylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 114549688
1-ethylnaphthalene;methylcyclopropane
CID 142069670
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone (CID 61055472) is 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone is CC1CC1C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone?
The InChIKey is CKSGFRJFXRUGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-11-9-15(11)16(17)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,15H,9-10H2,1H3.
What are the key properties of 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone?
1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone has a molecular weight of 224.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 61055472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).