3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine

C11H18N2O — CID 82281826

IUPAC3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine
SMILESCC1NC(C)(C)COC1c1cc[nH]c1
InChIInChI=1S/C11H18N2O/c1-8-10(9-4-5-12-6-9)14-7-11(2,3)13-8/h4-6,8,10,12-13H,7H2,1-3H3
InChIKeyFMAWVRBEUIDZRK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.84
Rot. Bonds1

About 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine

3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine (PubChem CID 82281826) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine.

Molecular Properties

Compound Name3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine
PubChem CID82281826
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine
SMILESCC1NC(C)(C)COC1c1cc[nH]c1
InChIInChI=1S/C11H18N2O/c1-8-10(9-4-5-12-6-9)14-7-11(2,3)13-8/h4-6,8,10,12-13H,7H2,1-3H3
InChIKeyFMAWVRBEUIDZRK-UHFFFAOYSA-N
XLogP1.84
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine?
The IUPAC name of 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine (CID 82281826) is 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine.
What is the SMILES notation for 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine?
The canonical SMILES for 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine is CC1NC(C)(C)COC1c1cc[nH]c1.
What is the InChIKey of 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine?
The InChIKey is FMAWVRBEUIDZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-10(9-4-5-12-6-9)14-7-11(2,3)13-8/h4-6,8,10,12-13H,7H2,1-3H3.
What are the key properties of 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine?
3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine has a molecular weight of 194.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-2-(1H-pyrrol-3-yl)morpholine is sourced from PubChem (CID 82281826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).