methyl 3H-benzo[e]indole-2-carboxylate

C14H11NO2 — CID 4715275

IUPACmethyl 3H-benzo[e]indole-2-carboxylate
SMILESCOC(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C14H11NO2/c1-17-14(16)13-8-11-10-5-3-2-4-9(10)6-7-12(11)15-13/h2-8,15H,1H3
InChIKeyUGJMOZWQIMQPKM-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.11
Rot. Bonds1

About methyl 3H-benzo[e]indole-2-carboxylate

methyl 3H-benzo[e]indole-2-carboxylate (PubChem CID 4715275) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 3H-benzo[e]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3H-benzo[e]indole-2-carboxylate
PubChem CID4715275
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Namemethyl 3H-benzo[e]indole-2-carboxylate
SMILESCOC(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C14H11NO2/c1-17-14(16)13-8-11-10-5-3-2-4-9(10)6-7-12(11)15-13/h2-8,15H,1H3
InChIKeyUGJMOZWQIMQPKM-UHFFFAOYSA-N
XLogP3.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3H-benzo[e]indole-2-carboxylate?
The IUPAC name of methyl 3H-benzo[e]indole-2-carboxylate (CID 4715275) is methyl 3H-benzo[e]indole-2-carboxylate.
What is the SMILES notation for methyl 3H-benzo[e]indole-2-carboxylate?
The canonical SMILES for methyl 3H-benzo[e]indole-2-carboxylate is COC(=O)c1cc2c(ccc3ccccc32)[nH]1.
What is the InChIKey of methyl 3H-benzo[e]indole-2-carboxylate?
The InChIKey is UGJMOZWQIMQPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-14(16)13-8-11-10-5-3-2-4-9(10)6-7-12(11)15-13/h2-8,15H,1H3.
What are the key properties of methyl 3H-benzo[e]indole-2-carboxylate?
methyl 3H-benzo[e]indole-2-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3H-benzo[e]indole-2-carboxylate is sourced from PubChem (CID 4715275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).