N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide

C13H18N2O3 — CID 3737337

IUPACN-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c1-2-12(16)9-6-11(14-7-9)13(17)15-8-10-4-3-5-18-10/h6-7,10,14H,2-5,8H2,1H3,(H,15,17)
InChIKeyVONPBGYGHJRXNB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.52
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide

N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide (PubChem CID 3737337) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide
PubChem CID3737337
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c1-2-12(16)9-6-11(14-7-9)13(17)15-8-10-4-3-5-18-10/h6-7,10,14H,2-5,8H2,1H3,(H,15,17)
InChIKeyVONPBGYGHJRXNB-UHFFFAOYSA-N
XLogP1.52
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(oxolan-2-ylmethyl)-4-propanoyl-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-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide (CID 3737337) is N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide is CCC(=O)c1c[nH]c(C(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
The InChIKey is VONPBGYGHJRXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-12(16)9-6-11(14-7-9)13(17)15-8-10-4-3-5-18-10/h6-7,10,14H,2-5,8H2,1H3,(H,15,17).
What are the key properties of N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide?
N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-propanoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3737337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).