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

C12H16N2O2 — CID 3231581

IUPACmethyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCCCn1c(C(=O)OC)cc2c1ccn2C
InChIInChI=1S/C12H16N2O2/c1-4-6-14-9-5-7-13(2)10(9)8-11(14)12(15)16-3/h5,7-8H,4,6H2,1-3H3
InChIKeyOKZZBPKDPXECOR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds3

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

methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 3231581) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID3231581
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCCCn1c(C(=O)OC)cc2c1ccn2C
InChIInChI=1S/C12H16N2O2/c1-4-6-14-9-5-7-13(2)10(9)8-11(14)12(15)16-3/h5,7-8H,4,6H2,1-3H3
InChIKeyOKZZBPKDPXECOR-UHFFFAOYSA-N
XLogP2.18
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate (CID 3231581) is methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate is CCCn1c(C(=O)OC)cc2c1ccn2C.
What is the InChIKey of methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is OKZZBPKDPXECOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-6-14-9-5-7-13(2)10(9)8-11(14)12(15)16-3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate?
methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3231581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).