N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

C14H16N2O2 — CID 3127068

IUPACN-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H16N2O2/c17-13-8-10(14(18)15-11-6-7-11)9-16(13)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,15,18)
InChIKeyAABUNLHOJSIYEC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.32
Rot. Bonds3

About N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 3127068) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID3127068
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H16N2O2/c17-13-8-10(14(18)15-11-6-7-11)9-16(13)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,15,18)
InChIKeyAABUNLHOJSIYEC-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 3127068) is N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NC1CC1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is AABUNLHOJSIYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13-8-10(14(18)15-11-6-7-11)9-16(13)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,15,18).
What are the key properties of N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3127068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).