4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one

C13H18N2O2 — CID 54792593

IUPAC4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
SMILESCCCOc1cccc(N2CC(N)CC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-2-6-17-12-5-3-4-11(8-12)15-9-10(14)7-13(15)16/h3-5,8,10H,2,6-7,9,14H2,1H3
InChIKeyGVAPCTVKQSSDJG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.54
Rot. Bonds4

About 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one

4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one (PubChem CID 54792593) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
PubChem CID54792593
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
SMILESCCCOc1cccc(N2CC(N)CC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-2-6-17-12-5-3-4-11(8-12)15-9-10(14)7-13(15)16/h3-5,8,10H,2,6-7,9,14H2,1H3
InChIKeyGVAPCTVKQSSDJG-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[3-(2-phenylethoxy)phenyl]pyrrolidin-2-one
CID 54792612
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
CID 168700983
4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
CID 54792619
1-(4-propoxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708183
4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one
CID 168656152
3-(4-amino-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168701174
3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 168699354
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one (CID 54792593) is 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one is CCCOc1cccc(N2CC(N)CC2=O)c1.
What is the InChIKey of 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one?
The InChIKey is GVAPCTVKQSSDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-6-17-12-5-3-4-11(8-12)15-9-10(14)7-13(15)16/h3-5,8,10H,2,6-7,9,14H2,1H3.
What are the key properties of 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one?
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 54792593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).