methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate

C10H12N2O2 — CID 3231580

IUPACmethyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2c(ccn2C)n1C
InChIInChI=1S/C10H12N2O2/c1-11-5-4-7-8(11)6-9(12(7)2)10(13)14-3/h4-6H,1-3H3
InChIKeyQIXRJVYHYIKUMH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.30
Rot. Bonds1

About methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate

methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 3231580) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID3231580
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2c(ccn2C)n1C
InChIInChI=1S/C10H12N2O2/c1-11-5-4-7-8(11)6-9(12(7)2)10(13)14-3/h4-6H,1-3H3
InChIKeyQIXRJVYHYIKUMH-UHFFFAOYSA-N
XLogP1.30
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate (CID 3231580) is methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2c(ccn2C)n1C.
What is the InChIKey of methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is QIXRJVYHYIKUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-11-5-4-7-8(11)6-9(12(7)2)10(13)14-3/h4-6H,1-3H3.
What are the key properties of methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate?
methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3231580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).