ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate

C15H17NO2 — CID 102581687

IUPACethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(C)ccc13)CCC2
InChIInChI=1S/C15H17NO2/c1-3-18-15(17)14-11-7-6-10(2)9-13(11)16-8-4-5-12(14)16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyGLUFKZPAZRJQJI-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.07
Rot. Bonds2

About ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate

ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate (PubChem CID 102581687) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate
PubChem CID102581687
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(C)ccc13)CCC2
InChIInChI=1S/C15H17NO2/c1-3-18-15(17)14-11-7-6-10(2)9-13(11)16-8-4-5-12(14)16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyGLUFKZPAZRJQJI-UHFFFAOYSA-N
XLogP3.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
The IUPAC name of ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate (CID 102581687) is ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
The canonical SMILES for ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate is CCOC(=O)c1c2n(c3cc(C)ccc13)CCC2.
What is the InChIKey of ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
The InChIKey is GLUFKZPAZRJQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-18-15(17)14-11-7-6-10(2)9-13(11)16-8-4-5-12(14)16/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate is sourced from PubChem (CID 102581687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).