N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide

C9H12N2O3 — CID 141205463

IUPACN-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NC1COCC1O)c1cc[nH]c1
InChIInChI=1S/C9H12N2O3/c12-8-5-14-4-7(8)11-9(13)6-1-2-10-3-6/h1-3,7-8,10,12H,4-5H2,(H,11,13)
InChIKeyWAHGYXMFZNKAQO-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.50
Rot. Bonds2

About N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide

N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide (PubChem CID 141205463) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide
PubChem CID141205463
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NC1COCC1O)c1cc[nH]c1
InChIInChI=1S/C9H12N2O3/c12-8-5-14-4-7(8)11-9(13)6-1-2-10-3-6/h1-3,7-8,10,12H,4-5H2,(H,11,13)
InChIKeyWAHGYXMFZNKAQO-UHFFFAOYSA-N
XLogP-0.50
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide (CID 141205463) is N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide is O=C(NC1COCC1O)c1cc[nH]c1.
What is the InChIKey of N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is WAHGYXMFZNKAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8-5-14-4-7(8)11-9(13)6-1-2-10-3-6/h1-3,7-8,10,12H,4-5H2,(H,11,13).
What are the key properties of N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide?
N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141205463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).