3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine

C11H18N2O — CID 82281820

IUPAC3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine
SMILESCn1ccc(C2COCC(C)(C)N2)c1
InChIInChI=1S/C11H18N2O/c1-11(2)8-14-7-10(12-11)9-4-5-13(3)6-9/h4-6,10,12H,7-8H2,1-3H3
InChIKeySLBFSCALDGHLHW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.46
Rot. Bonds1

About 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine

3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine (PubChem CID 82281820) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine
PubChem CID82281820
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine
SMILESCn1ccc(C2COCC(C)(C)N2)c1
InChIInChI=1S/C11H18N2O/c1-11(2)8-14-7-10(12-11)9-4-5-13(3)6-9/h4-6,10,12H,7-8H2,1-3H3
InChIKeySLBFSCALDGHLHW-UHFFFAOYSA-N
XLogP1.46
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine?
The IUPAC name of 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine (CID 82281820) is 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine.
What is the SMILES notation for 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine?
The canonical SMILES for 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine is Cn1ccc(C2COCC(C)(C)N2)c1.
What is the InChIKey of 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine?
The InChIKey is SLBFSCALDGHLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2)8-14-7-10(12-11)9-4-5-13(3)6-9/h4-6,10,12H,7-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine?
3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine has a molecular weight of 194.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine is sourced from PubChem (CID 82281820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).