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

C6H8N2O — CID 22722167

IUPAC2-(1H-pyrrol-3-yl)acetamide
SMILESNC(=O)Cc1cc[nH]c1
InChIInChI=1S/C6H8N2O/c7-6(9)3-5-1-2-8-4-5/h1-2,4,8H,3H2,(H2,7,9)
InChIKeyHPBQVVGLANJNJP-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.04
Rot. Bonds2

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

2-(1H-pyrrol-3-yl)acetamide (PubChem CID 22722167) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)acetamide
PubChem CID22722167
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-(1H-pyrrol-3-yl)acetamide
SMILESNC(=O)Cc1cc[nH]c1
InChIInChI=1S/C6H8N2O/c7-6(9)3-5-1-2-8-4-5/h1-2,4,8H,3H2,(H2,7,9)
InChIKeyHPBQVVGLANJNJP-UHFFFAOYSA-N
XLogP0.04
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide
CID 110769227
2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815904
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769164
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769100
N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769222
N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769094
N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769236
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769143
(E)-4-(1H-pyrrol-3-yl)but-2-enoic acid
CID 116866025
2-(1H-pyrazol-4-yl)acetamide
CID 22405808
1H-pyrrole-3-carboxamide;hydrochloride
CID 57435535

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of 2-(1H-pyrrol-3-yl)acetamide (CID 22722167) is 2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for 2-(1H-pyrrol-3-yl)acetamide is NC(=O)Cc1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is HPBQVVGLANJNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-6(9)3-5-1-2-8-4-5/h1-2,4,8H,3H2,(H2,7,9).
What are the key properties of 2-(1H-pyrrol-3-yl)acetamide?
2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 124.14 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 22722167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).