N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide

C13H18N2O2 — CID 136529784

IUPACN-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCC(=O)C1CC1
InChIInChI=1S/C13H18N2O2/c1-9(2)15-7-3-4-11(15)13(17)14-8-12(16)10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyAVWWOKZZPOXGFB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds5

About N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide

N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 136529784) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID136529784
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCC(=O)C1CC1
InChIInChI=1S/C13H18N2O2/c1-9(2)15-7-3-4-11(15)13(17)14-8-12(16)10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyAVWWOKZZPOXGFB-UHFFFAOYSA-N
XLogP1.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599
1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100628
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62500385
N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61414231
N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61342881
N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103873957
N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 54903835
1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide
CID 129329776
N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561
N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide
CID 75514495
N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 64794309

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 136529784) is N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NCC(=O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is AVWWOKZZPOXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)15-7-3-4-11(15)13(17)14-8-12(16)10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 136529784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).