N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide

C12H20N2O2 — CID 56793426

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc[nH]1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)7-9(15)8-14-11(16)10-5-4-6-13-10/h4-6,9,13,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyMEBUIUALSJISHJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.54
Rot. Bonds4

About N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide

N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide (PubChem CID 56793426) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide
PubChem CID56793426
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc[nH]1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)7-9(15)8-14-11(16)10-5-4-6-13-10/h4-6,9,13,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyMEBUIUALSJISHJ-UHFFFAOYSA-N
XLogP1.54
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxy-4,4-dimethylpentyl)-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-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide (CID 56793426) is N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide is CC(C)(C)CC(O)CNC(=O)c1ccc[nH]1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide?
The InChIKey is MEBUIUALSJISHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,3)7-9(15)8-14-11(16)10-5-4-6-13-10/h4-6,9,13,15H,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide?
N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 56793426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).