ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate

C15H14N2O2 — CID 21252021

IUPACethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate
SMILESCCOC(=O)C1=C(C)c2c(C)c3c(cc2=N1)N=CC=3
InChIInChI=1S/C15H14N2O2/c1-4-19-15(18)14-9(3)13-8(2)10-5-6-16-11(10)7-12(13)17-14/h5-7H,4H2,1-3H3
InChIKeyLFUPIEFGEZZIHW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.42
Rot. Bonds2

About ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate

ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate (PubChem CID 21252021) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate
PubChem CID21252021
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Nameethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate
SMILESCCOC(=O)C1=C(C)c2c(C)c3c(cc2=N1)N=CC=3
InChIInChI=1S/C15H14N2O2/c1-4-19-15(18)14-9(3)13-8(2)10-5-6-16-11(10)7-12(13)17-14/h5-7H,4H2,1-3H3
InChIKeyLFUPIEFGEZZIHW-UHFFFAOYSA-N
XLogP1.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate?
The IUPAC name of ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate (CID 21252021) is ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate.
What is the SMILES notation for ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate?
The canonical SMILES for ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate is CCOC(=O)C1=C(C)c2c(C)c3c(cc2=N1)N=CC=3.
What is the InChIKey of ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate?
The InChIKey is LFUPIEFGEZZIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-4-19-15(18)14-9(3)13-8(2)10-5-6-16-11(10)7-12(13)17-14/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate?
ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dimethylpyrrolo[3,2-f]indole-2-carboxylate is sourced from PubChem (CID 21252021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).