2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone

C13H20N2O2 — CID 61432707

IUPAC2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)CN2CCOCC2(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-13(2)10-17-7-6-15(13)9-12(16)11-4-5-14(3)8-11/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyNZPBUESGCCXIOR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds3

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

2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 61432707) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID61432707
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)CN2CCOCC2(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-13(2)10-17-7-6-15(13)9-12(16)11-4-5-14(3)8-11/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyNZPBUESGCCXIOR-UHFFFAOYSA-N
XLogP1.32
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone (CID 61432707) is 2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone is Cn1ccc(C(=O)CN2CCOCC2(C)C)c1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is NZPBUESGCCXIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2)10-17-7-6-15(13)9-12(16)11-4-5-14(3)8-11/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone?
2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 61432707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).