1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C14H16N2O4 — CID 168698374

IUPAC1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc(C3OCCO3)c2)C1
InChIInChI=1S/C14H16N2O4/c15-13(18)10-7-12(17)16(8-10)11-3-1-2-9(6-11)14-19-4-5-20-14/h1-3,6,10,14H,4-5,7-8H2,(H2,15,18)
InChIKeyZTSVFKBUBNPFJU-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.57
Rot. Bonds3

About 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698374) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168698374
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc(C3OCCO3)c2)C1
InChIInChI=1S/C14H16N2O4/c15-13(18)10-7-12(17)16(8-10)11-3-1-2-9(6-11)14-19-4-5-20-14/h1-3,6,10,14H,4-5,7-8H2,(H2,15,18)
InChIKeyZTSVFKBUBNPFJU-UHFFFAOYSA-N
XLogP0.57
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
1-[3-(1,3-dioxolan-2-yl)phenyl]-4-ethynylpyrrolidin-2-one
CID 168502814
1-[3-(methylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696359
5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide
CID 168698348
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775
6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
CID 168698344

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 168698374) is 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cccc(C3OCCO3)c2)C1.
What is the InChIKey of 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZTSVFKBUBNPFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c15-13(18)10-7-12(17)16(8-10)11-3-1-2-9(6-11)14-19-4-5-20-14/h1-3,6,10,14H,4-5,7-8H2,(H2,15,18).
What are the key properties of 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).