2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide

C10H14N2O2 — CID 66408770

IUPAC2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccc1C=O
InChIInChI=1S/C10H14N2O2/c1-8(2)11-10(14)6-12-5-3-4-9(12)7-13/h3-5,7-8H,6H2,1-2H3,(H,11,14)
InChIKeyZPYFUQVBDUCSPO-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.83
Rot. Bonds4

About 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide

2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide (PubChem CID 66408770) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide
PubChem CID66408770
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccc1C=O
InChIInChI=1S/C10H14N2O2/c1-8(2)11-10(14)6-12-5-3-4-9(12)7-13/h3-5,7-8H,6H2,1-2H3,(H,11,14)
InChIKeyZPYFUQVBDUCSPO-UHFFFAOYSA-N
XLogP0.83
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-formylpyrrol-1-yl)acetamide
CID 66410312
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323
N-(4-tert-butylphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 82030896
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66402406
1-(2-methyl-3-oxopropyl)pyrrole-2-carbaldehyde
CID 101090357
ethyl 4-[[2-(2-formylpyrrol-1-yl)acetyl]amino]benzoate
CID 71683659
N-(2,5-difluorophenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821982
2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide
CID 103125257
1-(5-methylhexyl)pyrrole-2-carbaldehyde
CID 115326772
N-(2,4-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71683654
methyl 4-[3-(2-formylpyrrol-1-yl)-2-oxopropyl]benzoate
CID 102312964

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide (CID 66408770) is 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cccc1C=O.
What is the InChIKey of 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is ZPYFUQVBDUCSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(2)11-10(14)6-12-5-3-4-9(12)7-13/h3-5,7-8H,6H2,1-2H3,(H,11,14).
What are the key properties of 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide?
2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 194.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 66408770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).