methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate

C17H20N2O2 — CID 59946329

IUPACmethyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc3c(c(C)c(C)n3C)c(C)c2c1C
InChIInChI=1S/C17H20N2O2/c1-8-11(4)19(5)13-7-12-14(9(2)15(8)13)10(3)16(18-12)17(20)21-6/h7,18H,1-6H3
InChIKeyWDGVVVOTQDWVAK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.68
Rot. Bonds1

About methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate

methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate (PubChem CID 59946329) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate
PubChem CID59946329
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc3c(c(C)c(C)n3C)c(C)c2c1C
InChIInChI=1S/C17H20N2O2/c1-8-11(4)19(5)13-7-12-14(9(2)15(8)13)10(3)16(18-12)17(20)21-6/h7,18H,1-6H3
InChIKeyWDGVVVOTQDWVAK-UHFFFAOYSA-N
XLogP3.68
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate?
The IUPAC name of methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate (CID 59946329) is methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate.
What is the SMILES notation for methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate?
The canonical SMILES for methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate is COC(=O)c1[nH]c2cc3c(c(C)c(C)n3C)c(C)c2c1C.
What is the InChIKey of methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate?
The InChIKey is WDGVVVOTQDWVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-8-11(4)19(5)13-7-12-14(9(2)15(8)13)10(3)16(18-12)17(20)21-6/h7,18H,1-6H3.
What are the key properties of methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate?
methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,5,6,7-pentamethyl-1H-pyrrolo[3,2-f]indole-2-carboxylate is sourced from PubChem (CID 59946329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).