2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone

C12H18N2O2 — CID 61432659

IUPAC2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCC1(C)COCCN1CC(=O)c1ccc[nH]1
InChIInChI=1S/C12H18N2O2/c1-12(2)9-16-7-6-14(12)8-11(15)10-4-3-5-13-10/h3-5,13H,6-9H2,1-2H3
InChIKeyOMMZZYRJMAEYBS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds3

About 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone

2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 61432659) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID61432659
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCC1(C)COCCN1CC(=O)c1ccc[nH]1
InChIInChI=1S/C12H18N2O2/c1-12(2)9-16-7-6-14(12)8-11(15)10-4-3-5-13-10/h3-5,13H,6-9H2,1-2H3
InChIKeyOMMZZYRJMAEYBS-UHFFFAOYSA-N
XLogP1.31
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone (CID 61432659) is 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone is CC1(C)COCCN1CC(=O)c1ccc[nH]1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is OMMZZYRJMAEYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2)9-16-7-6-14(12)8-11(15)10-4-3-5-13-10/h3-5,13H,6-9H2,1-2H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone?
2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 61432659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).