4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide

C11H16N2O3 — CID 83039564

IUPAC4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NC[C@@H](C)O)n(C)c1
InChIInChI=1S/C11H16N2O3/c1-7(14)5-12-11(16)10-4-9(8(2)15)6-13(10)3/h4,6-7,14H,5H2,1-3H3,(H,12,16)/t7-/m1/s1
InChIKeyMNLQEDHUJKZALL-SSDOTTSWSA-N
MW224.26 g/mol
LogP0.34
Rot. Bonds4

About 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide

4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide (PubChem CID 83039564) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
PubChem CID83039564
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NC[C@@H](C)O)n(C)c1
InChIInChI=1S/C11H16N2O3/c1-7(14)5-12-11(16)10-4-9(8(2)15)6-13(10)3/h4,6-7,14H,5H2,1-3H3,(H,12,16)/t7-/m1/s1
InChIKeyMNLQEDHUJKZALL-SSDOTTSWSA-N
XLogP0.34
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451
4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride
CID 120832160
2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 65218762
4-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538491
methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
CID 43409093
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
CID 119430794
4-acetyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 155945564
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
1-methyl-2-N-[2-(methylamino)propyl]pyrrole-2,4-dicarboxamide
CID 120828345
4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 154837440

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide (CID 83039564) is 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NC[C@@H](C)O)n(C)c1.
What is the InChIKey of 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MNLQEDHUJKZALL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(14)5-12-11(16)10-4-9(8(2)15)6-13(10)3/h4,6-7,14H,5H2,1-3H3,(H,12,16)/t7-/m1/s1.
What are the key properties of 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 83039564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).