N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide

C9H14N2O2 — CID 130678662

IUPACN-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC[C@@H](C)O
InChIInChI=1S/C9H14N2O2/c1-6(12)5-11-9(13)8-3-4-10-7(8)2/h3-4,6,10,12H,5H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyFNRIGRJAPFBHMO-ZCFIWIBFSA-N
MW182.22 g/mol
LogP0.43
Rot. Bonds3

About N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 130678662) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID130678662
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC[C@@H](C)O
InChIInChI=1S/C9H14N2O2/c1-6(12)5-11-9(13)8-3-4-10-7(8)2/h3-4,6,10,12H,5H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyFNRIGRJAPFBHMO-ZCFIWIBFSA-N
XLogP0.43
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110695748
N-(cyanomethyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 130645768
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
2-methyl-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide
CID 110695685
N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 118786582
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
N-(2-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 43393371
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 130678662) is N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is FNRIGRJAPFBHMO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(12)5-11-9(13)8-3-4-10-7(8)2/h3-4,6,10,12H,5H2,1-2H3,(H,11,13)/t6-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 130678662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).