2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide

C8H10N2O2 — CID 115166553

IUPAC2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
SMILESO=CC(=O)NCCc1ccc[nH]1
InChIInChI=1S/C8H10N2O2/c11-6-8(12)10-5-3-7-2-1-4-9-7/h1-2,4,6,9H,3,5H2,(H,10,12)
InChIKeyAUJVHRPPXWTGGM-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.13
Rot. Bonds4

About 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide

2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide (PubChem CID 115166553) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
PubChem CID115166553
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
SMILESO=CC(=O)NCCc1ccc[nH]1
InChIInChI=1S/C8H10N2O2/c11-6-8(12)10-5-3-7-2-1-4-9-7/h1-2,4,6,9H,3,5H2,(H,10,12)
InChIKeyAUJVHRPPXWTGGM-UHFFFAOYSA-N
XLogP-0.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-3-[2-(1H-pyrrol-2-yl)ethylamino]propanoic acid
CID 115163534
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162633
N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide
CID 130684110
2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
CID 83635683
4-[2-(1H-pyrrol-2-yl)ethylamino]butan-2-one
CID 115235928
3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 115161673
3-amino-4-oxo-4-[2-(1H-pyrrol-2-yl)ethylamino]butanoic acid
CID 115181331
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide
CID 174517586
N-(2-chloroethyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 115215062
2-[[2-(1H-pyrrol-2-yl)ethylamino]methyl]butanedioic acid
CID 115144653
ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate
CID 115257497
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide?
The IUPAC name of 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide (CID 115166553) is 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide is O=CC(=O)NCCc1ccc[nH]1.
What is the InChIKey of 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide?
The InChIKey is AUJVHRPPXWTGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-6-8(12)10-5-3-7-2-1-4-9-7/h1-2,4,6,9H,3,5H2,(H,10,12).
What are the key properties of 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide?
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide has a molecular weight of 166.18 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide is sourced from PubChem (CID 115166553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).