1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid

C15H13NO3 — CID 42853495

IUPAC1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C15H13NO3/c17-14-13(15(18)19)7-8-16(14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,18,19)
InChIKeyLTZCHKCEOZZOEE-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.28
Rot. Bonds2

About 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid

1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 42853495) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
PubChem CID42853495
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C15H13NO3/c17-14-13(15(18)19)7-8-16(14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,18,19)
InChIKeyLTZCHKCEOZZOEE-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid (CID 42853495) is 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LTZCHKCEOZZOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-13(15(18)19)7-8-16(14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,18,19).
What are the key properties of 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid?
1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 42853495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).