(4R,5S)-4-amino-5-phenylpyrrolidin-2-one

C10H12N2O — CID 95435375

IUPAC(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N[C@H]1c1ccccc1
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)/t8-,10+/m1/s1
InChIKeySNGOPWAUPAJDBW-SCZZXKLOSA-N
MW176.22 g/mol
LogP0.57
Rot. Bonds1

About (4R,5S)-4-amino-5-phenylpyrrolidin-2-one

(4R,5S)-4-amino-5-phenylpyrrolidin-2-one (PubChem CID 95435375) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (4R,5S)-4-amino-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
PubChem CID95435375
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N[C@H]1c1ccccc1
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)/t8-,10+/m1/s1
InChIKeySNGOPWAUPAJDBW-SCZZXKLOSA-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 (4R,5S)-4-amino-5-phenylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-amino-5-phenylpyrrolidin-2-one (CID 95435375) is (4R,5S)-4-amino-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-amino-5-phenylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-amino-5-phenylpyrrolidin-2-one is N[C@@H]1CC(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-4-amino-5-phenylpyrrolidin-2-one?
The InChIKey is SNGOPWAUPAJDBW-SCZZXKLOSA-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)/t8-,10+/m1/s1.
What are the key properties of (4R,5S)-4-amino-5-phenylpyrrolidin-2-one?
(4R,5S)-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 (4R,5S)-4-amino-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 95435375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).