N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide

C8H12N2O3 — CID 66177691

IUPACN-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC(O)CO)c1ccc[nH]1
InChIInChI=1S/C8H12N2O3/c11-5-6(12)4-10-8(13)7-2-1-3-9-7/h1-3,6,9,11-12H,4-5H2,(H,10,13)
InChIKeyZMAXUPSNPLDXRB-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.90
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide

N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide (PubChem CID 66177691) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide
PubChem CID66177691
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC NameN-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC(O)CO)c1ccc[nH]1
InChIInChI=1S/C8H12N2O3/c11-5-6(12)4-10-8(13)7-2-1-3-9-7/h1-3,6,9,11-12H,4-5H2,(H,10,13)
InChIKeyZMAXUPSNPLDXRB-UHFFFAOYSA-N
XLogP-0.90
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
N-(3-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 115703464
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
CID 114344939
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 81483032
N-(2,3-dihydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 66176023
N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 63311038
2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid
CID 10564810
N-but-2-ynyl-1H-pyrrole-2-carboxamide;ethane
CID 143657649
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide (CID 66177691) is N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide is O=C(NCC(O)CO)c1ccc[nH]1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZMAXUPSNPLDXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-5-6(12)4-10-8(13)7-2-1-3-9-7/h1-3,6,9,11-12H,4-5H2,(H,10,13).
What are the key properties of N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide?
N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 66177691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).