1-methyl-3-morpholin-4-ylpyrrole-2,5-diol

C9H14N2O3 — CID 91205176

IUPAC1-methyl-3-morpholin-4-ylpyrrole-2,5-diol
SMILESCn1c(O)cc(N2CCOCC2)c1O
InChIInChI=1S/C9H14N2O3/c1-10-8(12)6-7(9(10)13)11-2-4-14-5-3-11/h6,12-13H,2-5H2,1H3
InChIKeyIGAWKSBEBUWWOR-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.27
Rot. Bonds1

About 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol

1-methyl-3-morpholin-4-ylpyrrole-2,5-diol (PubChem CID 91205176) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-methyl-3-morpholin-4-ylpyrrole-2,5-diol
PubChem CID91205176
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-methyl-3-morpholin-4-ylpyrrole-2,5-diol
SMILESCn1c(O)cc(N2CCOCC2)c1O
InChIInChI=1S/C9H14N2O3/c1-10-8(12)6-7(9(10)13)11-2-4-14-5-3-11/h6,12-13H,2-5H2,1H3
InChIKeyIGAWKSBEBUWWOR-UHFFFAOYSA-N
XLogP0.27
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol
CID 91475481
2-fluoro-6-morpholin-4-ylphenol
CID 46737228
5-morpholin-4-ylbenzene-1,3-diol
CID 58923367
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine
CID 117111920
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
CID 50791995
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
N-(2,4-difluoro-6-morpholin-4-ylphenyl)acetamide
CID 177251713
1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine
CID 117110980
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
4-fluoro-N-methyl-3-morpholin-4-ylaniline
CID 145213441

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol?
The IUPAC name of 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol (CID 91205176) is 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol.
What is the SMILES notation for 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol?
The canonical SMILES for 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol is Cn1c(O)cc(N2CCOCC2)c1O.
What is the InChIKey of 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol?
The InChIKey is IGAWKSBEBUWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-10-8(12)6-7(9(10)13)11-2-4-14-5-3-11/h6,12-13H,2-5H2,1H3.
What are the key properties of 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol?
1-methyl-3-morpholin-4-ylpyrrole-2,5-diol has a molecular weight of 198.22 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-morpholin-4-ylpyrrole-2,5-diol is sourced from PubChem (CID 91205176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).