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

C14H15NO3 — CID 132545963

IUPACethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate
SMILESCCOC(=O)c1c2n(c3ccccc13)CC(O)C2
InChIInChI=1S/C14H15NO3/c1-2-18-14(17)13-10-5-3-4-6-11(10)15-8-9(16)7-12(13)15/h3-6,9,16H,2,7-8H2,1H3
InChIKeyLGHLTZYBJFDSIH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.74
Rot. Bonds2

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

ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate (PubChem CID 132545963) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate
PubChem CID132545963
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate
SMILESCCOC(=O)c1c2n(c3ccccc13)CC(O)C2
InChIInChI=1S/C14H15NO3/c1-2-18-14(17)13-10-5-3-4-6-11(10)15-8-9(16)7-12(13)15/h3-6,9,16H,2,7-8H2,1H3
InChIKeyLGHLTZYBJFDSIH-UHFFFAOYSA-N
XLogP1.74
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
The IUPAC name of ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate (CID 132545963) is ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate is CCOC(=O)c1c2n(c3ccccc13)CC(O)C2.
What is the InChIKey of ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
The InChIKey is LGHLTZYBJFDSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-18-14(17)13-10-5-3-4-6-11(10)15-8-9(16)7-12(13)15/h3-6,9,16H,2,7-8H2,1H3.
What are the key properties of ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate?
ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-4-carboxylate is sourced from PubChem (CID 132545963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).