2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone

C16H17NO — CID 905345

IUPAC2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C16H17NO/c18-16(17-10-3-4-11-17)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2
InChIKeyFNMJSNGSTSVLCO-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.00
Rot. Bonds2

About 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone

2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone (PubChem CID 905345) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
PubChem CID905345
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C16H17NO/c18-16(17-10-3-4-11-17)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2
InChIKeyFNMJSNGSTSVLCO-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-naphthalen-1-ylethanone
CID 78849758
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
2-naphthalen-1-yl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343780
3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
CID 54788097
[2-(azepan-1-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574012
2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 126853257
2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896738
1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane
CID 87338963

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone (CID 905345) is 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone is O=C(Cc1cccc2ccccc12)N1CCCC1.
What is the InChIKey of 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is FNMJSNGSTSVLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16(17-10-3-4-11-17)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2.
What are the key properties of 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone?
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 239.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 905345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).