1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid

C16H15NO3 — CID 67094985

IUPAC1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO3/c18-15-8-7-14(16(19)20)17(15)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14H,7-8,10H2,(H,19,20)
InChIKeyQGPZALLDRDNHLS-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.42
Rot. Bonds3

About 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid

1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 67094985) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID67094985
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO3/c18-15-8-7-14(16(19)20)17(15)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14H,7-8,10H2,(H,19,20)
InChIKeyQGPZALLDRDNHLS-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid (CID 67094985) is 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is QGPZALLDRDNHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15-8-7-14(16(19)20)17(15)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,14H,7-8,10H2,(H,19,20).
What are the key properties of 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid?
1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67094985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).