4-amino-5-phenylpyrrolidin-2-one

C10H12N2O — CID 75606920

IUPAC4-amino-5-phenylpyrrolidin-2-one
SMILESNC1CC(=O)NC1c1ccccc1
InChIInChI=1S/C10H12N2O/c11-8-6-9(13)12-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6,11H2,(H,12,13)
InChIKeySNGOPWAUPAJDBW-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.57
Rot. Bonds1

About 4-amino-5-phenylpyrrolidin-2-one

4-amino-5-phenylpyrrolidin-2-one (PubChem CID 75606920) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-amino-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-phenylpyrrolidin-2-one
PubChem CID75606920
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-amino-5-phenylpyrrolidin-2-one
SMILESNC1CC(=O)NC1c1ccccc1
InChIInChI=1S/C10H12N2O/c11-8-6-9(13)12-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6,11H2,(H,12,13)
InChIKeySNGOPWAUPAJDBW-UHFFFAOYSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-phenylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-phenylpyrrolidin-2-one (CID 75606920) is 4-amino-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-phenylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-phenylpyrrolidin-2-one is NC1CC(=O)NC1c1ccccc1.
What is the InChIKey of 4-amino-5-phenylpyrrolidin-2-one?
The InChIKey is SNGOPWAUPAJDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-6-9(13)12-10(8)7-4-2-1-3-5-7/h1-5,8,10H,6,11H2,(H,12,13).
What are the key properties of 4-amino-5-phenylpyrrolidin-2-one?
4-amino-5-phenylpyrrolidin-2-one has a molecular weight of 176.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 75606920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).