N'-(1H-pyrrol-2-ylmethyl)oxamide

C7H9N3O2 — CID 115191836

IUPACN'-(1H-pyrrol-2-ylmethyl)oxamide
SMILESNC(=O)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C7H9N3O2/c8-6(11)7(12)10-4-5-2-1-3-9-5/h1-3,9H,4H2,(H2,8,11)(H,10,12)
InChIKeyOZKCFHYCFPZYEW-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.88
Rot. Bonds2

About N'-(1H-pyrrol-2-ylmethyl)oxamide

N'-(1H-pyrrol-2-ylmethyl)oxamide (PubChem CID 115191836) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N'-(1H-pyrrol-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1H-pyrrol-2-ylmethyl)oxamide
PubChem CID115191836
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN'-(1H-pyrrol-2-ylmethyl)oxamide
SMILESNC(=O)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C7H9N3O2/c8-6(11)7(12)10-4-5-2-1-3-9-5/h1-3,9H,4H2,(H2,8,11)(H,10,12)
InChIKeyOZKCFHYCFPZYEW-UHFFFAOYSA-N
XLogP-0.88
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
2-amino-4-oxo-4-(1H-pyrrol-2-ylmethylamino)butanoic acid
CID 115181073
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710
3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110445664
2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 115157893
N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide
CID 110461302
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
1H-pyrrol-2-ylmethylhydrazine
CID 53275207

Frequently Asked Questions

What is the IUPAC name of N'-(1H-pyrrol-2-ylmethyl)oxamide?
The IUPAC name of N'-(1H-pyrrol-2-ylmethyl)oxamide (CID 115191836) is N'-(1H-pyrrol-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(1H-pyrrol-2-ylmethyl)oxamide?
The canonical SMILES for N'-(1H-pyrrol-2-ylmethyl)oxamide is NC(=O)C(=O)NCc1ccc[nH]1.
What is the InChIKey of N'-(1H-pyrrol-2-ylmethyl)oxamide?
The InChIKey is OZKCFHYCFPZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-6(11)7(12)10-4-5-2-1-3-9-5/h1-3,9H,4H2,(H2,8,11)(H,10,12).
What are the key properties of N'-(1H-pyrrol-2-ylmethyl)oxamide?
N'-(1H-pyrrol-2-ylmethyl)oxamide has a molecular weight of 167.17 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-pyrrol-2-ylmethyl)oxamide is sourced from PubChem (CID 115191836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).