3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine

C11H18N2O — CID 103549624

IUPAC3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
SMILESCc1ccc(C)n1CC1COCCN1
InChIInChI=1S/C11H18N2O/c1-9-3-4-10(2)13(9)7-11-8-14-6-5-12-11/h3-4,11-12H,5-8H2,1-2H3
InChIKeyMERFYMKFOAUSSE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.09
Rot. Bonds2

About 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine

3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine (PubChem CID 103549624) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
PubChem CID103549624
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
SMILESCc1ccc(C)n1CC1COCCN1
InChIInChI=1S/C11H18N2O/c1-9-3-4-10(2)13(9)7-11-8-14-6-5-12-11/h3-4,11-12H,5-8H2,1-2H3
InChIKeyMERFYMKFOAUSSE-UHFFFAOYSA-N
XLogP1.09
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549560
1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548575
3-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 165375298
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 106314919
3-[(5-methylfuran-2-yl)methyl]morpholine
CID 116927979
2,5-dimethyl-1-(oxiran-2-ylmethyl)pyrrole
CID 89480404
5,6-difluoro-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549626
3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 18915160
3-(ethylsulfonylmethyl)morpholine
CID 84720172
3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine
CID 104967658
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
CID 117034338

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine?
The IUPAC name of 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine (CID 103549624) is 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine.
What is the SMILES notation for 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine?
The canonical SMILES for 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine is Cc1ccc(C)n1CC1COCCN1.
What is the InChIKey of 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine?
The InChIKey is MERFYMKFOAUSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-3-4-10(2)13(9)7-11-8-14-6-5-12-11/h3-4,11-12H,5-8H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine?
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine has a molecular weight of 194.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine is sourced from PubChem (CID 103549624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).