2-oxo-2-(1H-pyrrol-3-yl)acetamide

C6H6N2O2 — CID 22722169

IUPAC2-oxo-2-(1H-pyrrol-3-yl)acetamide
SMILESNC(=O)C(=O)c1cc[nH]c1
InChIInChI=1S/C6H6N2O2/c7-6(10)5(9)4-1-2-8-3-4/h1-3,8H,(H2,7,10)
InChIKeyLXNHGCDDWJNMNL-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.32
Rot. Bonds2

About 2-oxo-2-(1H-pyrrol-3-yl)acetamide

2-oxo-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 22722169) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-oxo-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound Name2-oxo-2-(1H-pyrrol-3-yl)acetamide
PubChem CID22722169
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-oxo-2-(1H-pyrrol-3-yl)acetamide
SMILESNC(=O)C(=O)c1cc[nH]c1
InChIInChI=1S/C6H6N2O2/c7-6(10)5(9)4-1-2-8-3-4/h1-3,8H,(H2,7,10)
InChIKeyLXNHGCDDWJNMNL-UHFFFAOYSA-N
XLogP-0.32
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-pyrrole-3-carboxamide;hydrochloride
CID 57435535
1H-pyrrole-3-carboxylate
CID 7021181
formaldehyde;1H-pyrrole-3-carboxylic acid
CID 174260520
bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone
CID 57159288
1-(3-bromophenyl)-2-(1H-pyrrol-3-yl)ethane-1,2-dione
CID 59772668
2-fluoro-1-(1H-pyrrol-3-yl)ethanone
CID 88913574
2-(1H-pyrrole-3-carbonyl)butanamide
CID 91294080
ethane;methyl 1H-pyrrole-3-carboxylate
CID 169144888
(2S)-4-amino-4-oxo-2-(1H-pyrrole-3-carbonylamino)butanoic acid
CID 110834824
4-hydroxy-1-(1H-pyrrol-3-yl)butan-1-one
CID 82467827
(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone
CID 63750336
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of 2-oxo-2-(1H-pyrrol-3-yl)acetamide (CID 22722169) is 2-oxo-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for 2-oxo-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for 2-oxo-2-(1H-pyrrol-3-yl)acetamide is NC(=O)C(=O)c1cc[nH]c1.
What is the InChIKey of 2-oxo-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is LXNHGCDDWJNMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c7-6(10)5(9)4-1-2-8-3-4/h1-3,8H,(H2,7,10).
What are the key properties of 2-oxo-2-(1H-pyrrol-3-yl)acetamide?
2-oxo-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 138.13 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 22722169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).