N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide

C12H18N2O — CID 53015439

IUPACN-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(n2cccc2)CCCCC1
InChIInChI=1S/C12H18N2O/c1-13-11(15)12(7-3-2-4-8-12)14-9-5-6-10-14/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyBNZQAYGDLQUYJC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.89
Rot. Bonds2

About N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide

N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide (PubChem CID 53015439) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
PubChem CID53015439
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(n2cccc2)CCCCC1
InChIInChI=1S/C12H18N2O/c1-13-11(15)12(7-3-2-4-8-12)14-9-5-6-10-14/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyBNZQAYGDLQUYJC-UHFFFAOYSA-N
XLogP1.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide (CID 53015439) is N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide is CNC(=O)C1(n2cccc2)CCCCC1.
What is the InChIKey of N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The InChIKey is BNZQAYGDLQUYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-11(15)12(7-3-2-4-8-12)14-9-5-6-10-14/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,15).
What are the key properties of N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide?
N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrrol-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 53015439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).