2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone

C12H18N2O2 — CID 110773449

IUPAC2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone
SMILESCc1cc(CC(=O)N2CCOCC2)c(C)[nH]1
InChIInChI=1S/C12H18N2O2/c1-9-7-11(10(2)13-9)8-12(15)14-3-5-16-6-4-14/h7,13H,3-6,8H2,1-2H3
InChIKeyOYZLVOPFTIAIJB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.03
Rot. Bonds2

About 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone

2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone (PubChem CID 110773449) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone
PubChem CID110773449
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone
SMILESCc1cc(CC(=O)N2CCOCC2)c(C)[nH]1
InChIInChI=1S/C12H18N2O2/c1-9-7-11(10(2)13-9)8-12(15)14-3-5-16-6-4-14/h7,13H,3-6,8H2,1-2H3
InChIKeyOYZLVOPFTIAIJB-UHFFFAOYSA-N
XLogP1.03
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110802701
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801270
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110813181
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110773513
N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide
CID 110813184
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110809731
1-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-2-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 110814890
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813956
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 110815172
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone (CID 110773449) is 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone is Cc1cc(CC(=O)N2CCOCC2)c(C)[nH]1.
What is the InChIKey of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone?
The InChIKey is OYZLVOPFTIAIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-7-11(10(2)13-9)8-12(15)14-3-5-16-6-4-14/h7,13H,3-6,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone?
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone has a molecular weight of 222.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 110773449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).