1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone

C14H22N2O2 — CID 43432347

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone
SMILESCCC1CN(CC(=O)c2cc(C)[nH]c2C)CCO1
InChIInChI=1S/C14H22N2O2/c1-4-12-8-16(5-6-18-12)9-14(17)13-7-10(2)15-11(13)3/h7,12,15H,4-6,8-9H2,1-3H3
InChIKeyAHTDEEJZIYMTSE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.93
Rot. Bonds4

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone (PubChem CID 43432347) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone
PubChem CID43432347
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone
SMILESCCC1CN(CC(=O)c2cc(C)[nH]c2C)CCO1
InChIInChI=1S/C14H22N2O2/c1-4-12-8-16(5-6-18-12)9-14(17)13-7-10(2)15-11(13)3/h7,12,15H,4-6,8-9H2,1-3H3
InChIKeyAHTDEEJZIYMTSE-UHFFFAOYSA-N
XLogP1.93
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone (CID 43432347) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone is CCC1CN(CC(=O)c2cc(C)[nH]c2C)CCO1.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone?
The InChIKey is AHTDEEJZIYMTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-12-8-16(5-6-18-12)9-14(17)13-7-10(2)15-11(13)3/h7,12,15H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone has a molecular weight of 250.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43432347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).