(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one

C13H16N2O — CID 94003407

IUPAC(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C13H16N2O/c14-10-6-13(16)15(8-10)12-7-11(12)9-4-2-1-3-5-9/h1-5,10-12H,6-8,14H2/t10-,11+,12-/m1/s1
InChIKeyIHBAOXCCDNCTLW-GRYCIOLGSA-N
MW216.28 g/mol
LogP1.10
Rot. Bonds2

About (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one

(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one (PubChem CID 94003407) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one
PubChem CID94003407
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C13H16N2O/c14-10-6-13(16)15(8-10)12-7-11(12)9-4-2-1-3-5-9/h1-5,10-12H,6-8,14H2/t10-,11+,12-/m1/s1
InChIKeyIHBAOXCCDNCTLW-GRYCIOLGSA-N
XLogP1.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one (CID 94003407) is (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one is N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1.
What is the InChIKey of (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one?
The InChIKey is IHBAOXCCDNCTLW-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H16N2O/c14-10-6-13(16)15(8-10)12-7-11(12)9-4-2-1-3-5-9/h1-5,10-12H,6-8,14H2/t10-,11+,12-/m1/s1.
What are the key properties of (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one?
(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one is sourced from PubChem (CID 94003407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).