1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide

C13H20N2O — CID 25161651

IUPAC1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cccn2C)CC1
InChIInChI=1S/C13H20N2O/c1-10-5-7-11(8-6-10)14-13(16)12-4-3-9-15(12)2/h3-4,9-11H,5-8H2,1-2H3,(H,14,16)
InChIKeyATUVXHWHDWZCHS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.33
Rot. Bonds2

About 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide

1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide (PubChem CID 25161651) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
PubChem CID25161651
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cccn2C)CC1
InChIInChI=1S/C13H20N2O/c1-10-5-7-11(8-6-10)14-13(16)12-4-3-9-15(12)2/h3-4,9-11H,5-8H2,1-2H3,(H,14,16)
InChIKeyATUVXHWHDWZCHS-UHFFFAOYSA-N
XLogP2.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide (CID 25161651) is 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide is CC1CCC(NC(=O)c2cccn2C)CC1.
What is the InChIKey of 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The InChIKey is ATUVXHWHDWZCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-7-11(8-6-10)14-13(16)12-4-3-9-15(12)2/h3-4,9-11H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide is sourced from PubChem (CID 25161651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).