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

C13H15NO — CID 11264129

IUPAC1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H15NO/c15-13-7-4-8-14(13)12-9-11(12)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12+/m1/s1
InChIKeyYIZOMSSUWZTVFR-NEPJUHHUSA-N
MW201.27 g/mol
LogP2.16
Rot. Bonds2

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

1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one (PubChem CID 11264129) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one
PubChem CID11264129
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H15NO/c15-13-7-4-8-14(13)12-9-11(12)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12+/m1/s1
InChIKeyYIZOMSSUWZTVFR-NEPJUHHUSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one (CID 11264129) is 1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one is O=C1CCCN1[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one?
The InChIKey is YIZOMSSUWZTVFR-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-7-4-8-14(13)12-9-11(12)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one?
1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one is sourced from PubChem (CID 11264129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).