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

C10H14N2O3 — CID 83039375

IUPAC4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC[C@@H](C)O)c1
InChIInChI=1S/C10H14N2O3/c1-6(13)4-12-10(15)9-3-8(5-11-9)7(2)14/h3,5-6,11,13H,4H2,1-2H3,(H,12,15)/t6-/m1/s1
InChIKeyPZCXWWCNMBZRLC-ZCFIWIBFSA-N
MW210.23 g/mol
LogP0.33
Rot. Bonds4

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

4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide (PubChem CID 83039375) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
PubChem CID83039375
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC[C@@H](C)O)c1
InChIInChI=1S/C10H14N2O3/c1-6(13)4-12-10(15)9-3-8(5-11-9)7(2)14/h3,5-6,11,13H,4H2,1-2H3,(H,12,15)/t6-/m1/s1
InChIKeyPZCXWWCNMBZRLC-ZCFIWIBFSA-N
XLogP0.33
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide
CID 109379514
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
4-acetyl-N-(6-hydroxyhexyl)-1H-pyrrole-2-carboxamide
CID 103918698
(2S)-2-[[2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695275
4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 32687581
4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 171483228
4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 43394554
(2S,3S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 61132584
4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64928677
methyl 6-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]hexanoate
CID 31841297

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide (CID 83039375) is 4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NC[C@@H](C)O)c1.
What is the InChIKey of 4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PZCXWWCNMBZRLC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(13)4-12-10(15)9-3-8(5-11-9)7(2)14/h3,5-6,11,13H,4H2,1-2H3,(H,12,15)/t6-/m1/s1.
What are the key properties of 4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 83039375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).