diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid

C18H17NO4 — CID 174442978

IUPACdiphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(c1ccccc1)c1ccccc1.O=C1CCC(C(=O)O)N1
InChIInChI=1S/C13H10O.C5H7NO3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-4-2-1-3(6-4)5(8)9/h1-10H;3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyONLXHIYAXPCAQX-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.27
Rot. Bonds3

About diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid

diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid (PubChem CID 174442978) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namediphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
PubChem CID174442978
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namediphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(c1ccccc1)c1ccccc1.O=C1CCC(C(=O)O)N1
InChIInChI=1S/C13H10O.C5H7NO3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-4-2-1-3(6-4)5(8)9/h1-10H;3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyONLXHIYAXPCAQX-UHFFFAOYSA-N
XLogP2.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid (CID 174442978) is diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid is O=C(c1ccccc1)c1ccccc1.O=C1CCC(C(=O)O)N1.
What is the InChIKey of diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is ONLXHIYAXPCAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C5H7NO3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-4-2-1-3(6-4)5(8)9/h1-10H;3H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid?
diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174442978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).