N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide

C10H16N2O2 — CID 12948787

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(C)(C)CO
InChIInChI=1S/C10H16N2O2/c1-10(2,7-13)11-9(14)8-5-4-6-12(8)3/h4-6,13H,7H2,1-3H3,(H,11,14)
InChIKeyYCVXYIQQQFZCIM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.53
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 12948787) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID12948787
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(C)(C)CO
InChIInChI=1S/C10H16N2O2/c1-10(2,7-13)11-9(14)8-5-4-6-12(8)3/h4-6,13H,7H2,1-3H3,(H,11,14)
InChIKeyYCVXYIQQQFZCIM-UHFFFAOYSA-N
XLogP0.53
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
CID 68779216
1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
CID 143504652
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393614
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393615
N-(1-hydroxy-2-methylpropan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715225
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 81482518
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126916
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 43500997
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-methylpyrrole-2-carboxamide
CID 103940864
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide (CID 12948787) is N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is YCVXYIQQQFZCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,7-13)11-9(14)8-5-4-6-12(8)3/h4-6,13H,7H2,1-3H3,(H,11,14).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 12948787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).