N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide

C17H20N2O2 — CID 61369126

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCN1C=CC=C1C(=O)NC2C(CC3=CC=CC=C23)O
InChIInChI=1S/C17H20N2O2/c1-2-9-19-10-5-8-14(19)17(21)18-16-13-7-4-3-6-12(13)11-15(16)20/h3-8,10,15-16,20H,2,9,11H2,1H3,(H,18,21)
InChIKeyJHKSIJVRMYXKHK-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.00
Rot. Bonds4

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 61369126) has the molecular formula C17H20N2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide
PubChem CID61369126
Molecular FormulaC17H20N2O2
Molecular Weight284.35 g/mol
Exact Mass284.15
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCN1C=CC=C1C(=O)NC2C(CC3=CC=CC=C23)O
InChIInChI=1S/C17H20N2O2/c1-2-9-19-10-5-8-14(19)17(21)18-16-13-7-4-3-6-12(13)11-15(16)20/h3-8,10,15-16,20H,2,9,11H2,1H3,(H,18,21)
InChIKeyJHKSIJVRMYXKHK-UHFFFAOYSA-N
XLogP2.00
TPSA54.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity374

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-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-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide (CID 61369126) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide is CCCN1C=CC=C1C(=O)NC2C(CC3=CC=CC=C23)O.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is JHKSIJVRMYXKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-9-19-10-5-8-14(19)17(21)18-16-13-7-4-3-6-12(13)11-15(16)20/h3-8,10,15-16,20H,2,9,11H2,1H3,(H,18,21).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 284.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61369126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).