1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione

C16H15NO2 — CID 122383489

IUPAC1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO2/c18-15(16(19)17-9-3-4-10-17)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11H,3-4,9-10H2
InChIKeyXEUSGRNSPQORHF-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.64
Rot. Bonds2

About 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione

1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 122383489) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID122383489
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO2/c18-15(16(19)17-9-3-4-10-17)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11H,3-4,9-10H2
InChIKeyXEUSGRNSPQORHF-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
naphthalene-2-carboxylic acid
CID 175967775
1-phenyl-2-piperidin-1-ylethane-1,2-dione;1,1,2,2-tetraphenylethane-1,2-diol
CID 139194610
2-naphthalen-2-yl-2-oxoacetyl chloride
CID 19347531
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
(E)-2-fluoro-3-naphthalen-2-yl-1-piperidin-1-ylprop-2-en-1-one
CID 10062374
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
dinaphthalen-2-ylmethanone
CID 10945915
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 46087244

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione (CID 122383489) is 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is XEUSGRNSPQORHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15(16(19)17-9-3-4-10-17)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione?
1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 253.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 122383489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).