1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone

C14H20N2O3 — CID 33311355

IUPAC1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H](C)C2)c1C
InChIInChI=1S/C14H20N2O3/c1-8-7-16(5-6-19-8)14(18)13-9(2)12(11(4)17)10(3)15-13/h8,15H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFCEFGJFGNAXEMB-QMMMGPOBSA-N
MW264.32 g/mol
LogP1.70
Rot. Bonds2

About 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone

1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone (PubChem CID 33311355) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
PubChem CID33311355
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H](C)C2)c1C
InChIInChI=1S/C14H20N2O3/c1-8-7-16(5-6-19-8)14(18)13-9(2)12(11(4)17)10(3)15-13/h8,15H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFCEFGJFGNAXEMB-QMMMGPOBSA-N
XLogP1.70
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,4-dimethyl-5-(2-methylmorpholine-4-carbonyl)-1H-pyrrole-3-carboxylate
CID 51293161
(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one
CID 51887065
1-[2,4-dimethyl-5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 94812298
N-[1-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080411
methyl 1-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-4-carboxylate
CID 17488997
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2597849
1-[5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 4800505
1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120804323
4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55725322
1-[2,4-dimethyl-5-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 47067621
1-[2,4-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17391426
1-[5-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 55558489

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone (CID 33311355) is 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H](C)C2)c1C.
What is the InChIKey of 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone?
The InChIKey is FCEFGJFGNAXEMB-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-7-16(5-6-19-8)14(18)13-9(2)12(11(4)17)10(3)15-13/h8,15H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone?
1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone has a molecular weight of 264.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 33311355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).