cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide

C15H18N2O2 — CID 51462133

IUPACcis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H18N2O2/c1-10-8-13(10)15(19)16-11-4-2-5-12(9-11)17-7-3-6-14(17)18/h2,4-5,9-10,13H,3,6-8H2,1H3,(H,16,19)/t10-,13+/m0/s1
InChIKeyTZSPUUSLGGLEBQ-GXFFZTMASA-N
MW258.32 g/mol
LogP2.41
Rot. Bonds3

About cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 51462133) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID51462133
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namecis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H18N2O2/c1-10-8-13(10)15(19)16-11-4-2-5-12(9-11)17-7-3-6-14(17)18/h2,4-5,9-10,13H,3,6-8H2,1H3,(H,16,19)/t10-,13+/m0/s1
InChIKeyTZSPUUSLGGLEBQ-GXFFZTMASA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide (CID 51462133) is cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is TZSPUUSLGGLEBQ-GXFFZTMASA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-8-13(10)15(19)16-11-4-2-5-12(9-11)17-7-3-6-14(17)18/h2,4-5,9-10,13H,3,6-8H2,1H3,(H,16,19)/t10-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51462133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).