N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C15H18N2O2 — CID 2852720

IUPACN-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CC3)CC2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-10-2-6-13(7-3-10)17-9-11(8-14(17)18)15(19)16-12-4-5-12/h2-3,6-7,11-12H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyGAZQNOPBFFOSEG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.63
Rot. Bonds3

About N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2852720) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2852720
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CC3)CC2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-10-2-6-13(7-3-10)17-9-11(8-14(17)18)15(19)16-12-4-5-12/h2-3,6-7,11-12H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyGAZQNOPBFFOSEG-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2852720) is N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC3CC3)CC2=O)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GAZQNOPBFFOSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-2-6-13(7-3-10)17-9-11(8-14(17)18)15(19)16-12-4-5-12/h2-3,6-7,11-12H,4-5,8-9H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2852720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).