4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine

C12H20N2O — CID 12708663

IUPAC4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine
SMILESCc1c(C)c(C)n(N2CCOCC2)c1C
InChIInChI=1S/C12H20N2O/c1-9-10(2)12(4)14(11(9)3)13-5-7-15-8-6-13/h5-8H2,1-4H3
InChIKeyXTPWHLKIFBMVMH-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.69
Rot. Bonds1

About 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine

4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine (PubChem CID 12708663) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine.

Molecular Properties

Compound Name4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine
PubChem CID12708663
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine
SMILESCc1c(C)c(C)n(N2CCOCC2)c1C
InChIInChI=1S/C12H20N2O/c1-9-10(2)12(4)14(11(9)3)13-5-7-15-8-6-13/h5-8H2,1-4H3
InChIKeyXTPWHLKIFBMVMH-UHFFFAOYSA-N
XLogP1.69
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine?
The IUPAC name of 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine (CID 12708663) is 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine.
What is the SMILES notation for 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine?
The canonical SMILES for 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine is Cc1c(C)c(C)n(N2CCOCC2)c1C.
What is the InChIKey of 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine?
The InChIKey is XTPWHLKIFBMVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-10(2)12(4)14(11(9)3)13-5-7-15-8-6-13/h5-8H2,1-4H3.
What are the key properties of 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine?
4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine has a molecular weight of 208.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetramethylpyrrol-1-yl)morpholine is sourced from PubChem (CID 12708663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).