1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide

C12H20N2O — CID 143504652

IUPAC1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cccn1C
InChIInChI=1S/C12H20N2O/c1-5-12(3,6-2)13-11(15)10-8-7-9-14(10)4/h7-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyZNBJEZUGKBWWJE-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds4

About 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide

1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide (PubChem CID 143504652) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
PubChem CID143504652
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cccn1C
InChIInChI=1S/C12H20N2O/c1-5-12(3,6-2)13-11(15)10-8-7-9-14(10)4/h7-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyZNBJEZUGKBWWJE-UHFFFAOYSA-N
XLogP2.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 12948787
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
1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
CID 68779216
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 81482518
N-(1-hydroxy-2-methylbutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64555639
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-methylpyrrole-2-carboxamide
CID 103940864
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 113322191
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide (CID 143504652) is 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide is CCC(C)(CC)NC(=O)c1cccn1C.
What is the InChIKey of 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide?
The InChIKey is ZNBJEZUGKBWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-12(3,6-2)13-11(15)10-8-7-9-14(10)4/h7-9H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide?
1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 143504652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).