N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide

C12H18N2O — CID 11127444

IUPACN-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc[nH]1
InChIInChI=1S/C12H18N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9H2,(H,14,15)
InChIKeyHIVSTTONWQDHJU-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.32
Rot. Bonds3

About N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide

N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 11127444) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID11127444
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc[nH]1
InChIInChI=1S/C12H18N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9H2,(H,14,15)
InChIKeyHIVSTTONWQDHJU-UHFFFAOYSA-N
XLogP2.32
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide (CID 11127444) is N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCC1CCCCC1)c1ccc[nH]1.
What is the InChIKey of N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is HIVSTTONWQDHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9H2,(H,14,15).
What are the key properties of N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide?
N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11127444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).