N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide

C9H14N2O2 — CID 115765120

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1ccc[nH]1
InChIInChI=1S/C9H14N2O2/c1-7(6-12)11(2)9(13)8-4-3-5-10-8/h3-5,7,10,12H,6H2,1-2H3
InChIKeyPHQDICJFQUWGPL-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.47
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 115765120) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID115765120
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1ccc[nH]1
InChIInChI=1S/C9H14N2O2/c1-7(6-12)11(2)9(13)8-4-3-5-10-8/h3-5,7,10,12H,6H2,1-2H3
InChIKeyPHQDICJFQUWGPL-UHFFFAOYSA-N
XLogP0.47
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide
CID 115869545
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388525
N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 113426284
2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43795802
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43433568
N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 104553472
4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113344177
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 123904260

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide (CID 115765120) is N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide is CC(CO)N(C)C(=O)c1ccc[nH]1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is PHQDICJFQUWGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(6-12)11(2)9(13)8-4-3-5-10-8/h3-5,7,10,12H,6H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115765120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).