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

C12H20N2O — CID 110688830

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)ccc1C
InChIInChI=1S/C12H20N2O/c1-5-13(6-2)12(15)9-14-10(3)7-8-11(14)4/h7-8H,5-6,9H2,1-4H3
InChIKeyQZZVSZZPRAQTHK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.97
Rot. Bonds4

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

2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide (PubChem CID 110688830) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide
PubChem CID110688830
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)ccc1C
InChIInChI=1S/C12H20N2O/c1-5-13(6-2)12(15)9-14-10(3)7-8-11(14)4/h7-8H,5-6,9H2,1-4H3
InChIKeyQZZVSZZPRAQTHK-UHFFFAOYSA-N
XLogP1.97
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide (CID 110688830) is 2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide?
The InChIKey is QZZVSZZPRAQTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-13(6-2)12(15)9-14-10(3)7-8-11(14)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide?
2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide has a molecular weight of 208.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 110688830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).