2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide

C11H18N2O — CID 43567559

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)ccc1C
InChIInChI=1S/C11H18N2O/c1-4-7-12-11(14)8-13-9(2)5-6-10(13)3/h5-6H,4,7-8H2,1-3H3,(H,12,14)
InChIKeyKYPRIYPPAMHLMF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.63
Rot. Bonds4

About 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide

2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide (PubChem CID 43567559) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
PubChem CID43567559
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)ccc1C
InChIInChI=1S/C11H18N2O/c1-4-7-12-11(14)8-13-9(2)5-6-10(13)3/h5-6H,4,7-8H2,1-3H3,(H,12,14)
InChIKeyKYPRIYPPAMHLMF-UHFFFAOYSA-N
XLogP1.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 137320602
2-[3-(aminomethyl)-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide
CID 107073215
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid
CID 65173163
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108806583
N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688871
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide (CID 43567559) is 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide?
The InChIKey is KYPRIYPPAMHLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-7-12-11(14)8-13-9(2)5-6-10(13)3/h5-6H,4,7-8H2,1-3H3,(H,12,14).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide?
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide has a molecular weight of 194.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide is sourced from PubChem (CID 43567559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).