methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate

C13H12N2O2 — CID 13398396

IUPACmethyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n(C)c2[nH]1
InChIInChI=1S/C13H12N2O2/c1-15-11-6-4-3-5-8(11)9-7-10(13(16)17-2)14-12(9)15/h3-7,14H,1-2H3
InChIKeyKXNVLGAKOXQCEV-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.45
Rot. Bonds1

About methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate

methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate (PubChem CID 13398396) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
PubChem CID13398396
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n(C)c2[nH]1
InChIInChI=1S/C13H12N2O2/c1-15-11-6-4-3-5-8(11)9-7-10(13(16)17-2)14-12(9)15/h3-7,14H,1-2H3
InChIKeyKXNVLGAKOXQCEV-UHFFFAOYSA-N
XLogP2.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate?
The IUPAC name of methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate (CID 13398396) is methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate is COC(=O)c1cc2c3ccccc3n(C)c2[nH]1.
What is the InChIKey of methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate?
The InChIKey is KXNVLGAKOXQCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15-11-6-4-3-5-8(11)9-7-10(13(16)17-2)14-12(9)15/h3-7,14H,1-2H3.
What are the key properties of methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate?
methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate is sourced from PubChem (CID 13398396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).