2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide

C11H18N2O — CID 110773434

IUPAC2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cc(C)[nH]c1C
InChIInChI=1S/C11H18N2O/c1-4-5-12-11(14)7-10-6-8(2)13-9(10)3/h6,13H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyURODDBOEPYYFDY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.70
Rot. Bonds4

About 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide

2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide (PubChem CID 110773434) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide
PubChem CID110773434
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cc(C)[nH]c1C
InChIInChI=1S/C11H18N2O/c1-4-5-12-11(14)7-10-6-8(2)13-9(10)3/h6,13H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyURODDBOEPYYFDY-UHFFFAOYSA-N
XLogP1.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide?
The IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide (CID 110773434) is 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide is CCCNC(=O)Cc1cc(C)[nH]c1C.
What is the InChIKey of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide?
The InChIKey is URODDBOEPYYFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-5-12-11(14)7-10-6-8(2)13-9(10)3/h6,13H,4-5,7H2,1-3H3,(H,12,14).
What are the key properties of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide?
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide has a molecular weight of 194.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide is sourced from PubChem (CID 110773434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).