methyl pyrrolo[3,2-a]carbazole-1-carboxylate

C16H10N2O2 — CID 134824107

IUPACmethyl pyrrolo[3,2-a]carbazole-1-carboxylate
SMILESCOC(=O)C1=c2c(ccc3c2=Nc2ccccc2-3)N=C1
InChIInChI=1S/C16H10N2O2/c1-20-16(19)11-8-17-13-7-6-10-9-4-2-3-5-12(9)18-15(10)14(11)13/h2-8H,1H3
InChIKeyOIPZTMSMYNDSLO-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.66
Rot. Bonds1

About methyl pyrrolo[3,2-a]carbazole-1-carboxylate

methyl pyrrolo[3,2-a]carbazole-1-carboxylate (PubChem CID 134824107) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl pyrrolo[3,2-a]carbazole-1-carboxylate.

Molecular Properties

Compound Namemethyl pyrrolo[3,2-a]carbazole-1-carboxylate
PubChem CID134824107
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Namemethyl pyrrolo[3,2-a]carbazole-1-carboxylate
SMILESCOC(=O)C1=c2c(ccc3c2=Nc2ccccc2-3)N=C1
InChIInChI=1S/C16H10N2O2/c1-20-16(19)11-8-17-13-7-6-10-9-4-2-3-5-12(9)18-15(10)14(11)13/h2-8H,1H3
InChIKeyOIPZTMSMYNDSLO-UHFFFAOYSA-N
XLogP1.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl pyrrolo[3,2-a]carbazole-1-carboxylate?
The IUPAC name of methyl pyrrolo[3,2-a]carbazole-1-carboxylate (CID 134824107) is methyl pyrrolo[3,2-a]carbazole-1-carboxylate.
What is the SMILES notation for methyl pyrrolo[3,2-a]carbazole-1-carboxylate?
The canonical SMILES for methyl pyrrolo[3,2-a]carbazole-1-carboxylate is COC(=O)C1=c2c(ccc3c2=Nc2ccccc2-3)N=C1.
What is the InChIKey of methyl pyrrolo[3,2-a]carbazole-1-carboxylate?
The InChIKey is OIPZTMSMYNDSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c1-20-16(19)11-8-17-13-7-6-10-9-4-2-3-5-12(9)18-15(10)14(11)13/h2-8H,1H3.
What are the key properties of methyl pyrrolo[3,2-a]carbazole-1-carboxylate?
methyl pyrrolo[3,2-a]carbazole-1-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrrolo[3,2-a]carbazole-1-carboxylate is sourced from PubChem (CID 134824107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).