2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

C14H24N2O — CID 43226614

IUPAC2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCN(CC)CC(=O)c1cc(C)n(CC)c1C
InChIInChI=1S/C14H24N2O/c1-6-15(7-2)10-14(17)13-9-11(4)16(8-3)12(13)5/h9H,6-8,10H2,1-5H3
InChIKeyGCFSWWBRWVVMQB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.65
Rot. Bonds6

About 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 43226614) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID43226614
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCN(CC)CC(=O)c1cc(C)n(CC)c1C
InChIInChI=1S/C14H24N2O/c1-6-15(7-2)10-14(17)13-9-11(4)16(8-3)12(13)5/h9H,6-8,10H2,1-5H3
InChIKeyGCFSWWBRWVVMQB-UHFFFAOYSA-N
XLogP2.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62921896
3-[ethyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]-2-methylpropanenitrile
CID 62036399
2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62053083
2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62036243
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
3-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 62051069
1-[2-(diethylamino)ethyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 16782594
2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 61445247
3-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-propan-2-ylamino]propanenitrile
CID 62036418
2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide
CID 62035350
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432206
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62029188

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 43226614) is 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is CCN(CC)CC(=O)c1cc(C)n(CC)c1C.
What is the InChIKey of 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is GCFSWWBRWVVMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-6-15(7-2)10-14(17)13-9-11(4)16(8-3)12(13)5/h9H,6-8,10H2,1-5H3.
What are the key properties of 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 236.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 43226614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).