ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate

C14H15NO5 — CID 150800086

IUPACethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate
SMILESCCOC(=O)OC1=C(C(=O)OCC)C=C2C=CN=C2C1
InChIInChI=1S/C14H15NO5/c1-3-18-13(16)10-7-9-5-6-15-11(9)8-12(10)20-14(17)19-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyKFQVITDHFSZRQX-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.28
Rot. Bonds4

About ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate

ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate (PubChem CID 150800086) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate
PubChem CID150800086
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Nameethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate
SMILESCCOC(=O)OC1=C(C(=O)OCC)C=C2C=CN=C2C1
InChIInChI=1S/C14H15NO5/c1-3-18-13(16)10-7-9-5-6-15-11(9)8-12(10)20-14(17)19-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyKFQVITDHFSZRQX-UHFFFAOYSA-N
XLogP2.28
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl indeno[2,1-b]pyrrole-8-carboxylate
CID 141282379

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate?
The IUPAC name of ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate (CID 150800086) is ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate.
What is the SMILES notation for ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate?
The canonical SMILES for ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate is CCOC(=O)OC1=C(C(=O)OCC)C=C2C=CN=C2C1.
What is the InChIKey of ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate?
The InChIKey is KFQVITDHFSZRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-3-18-13(16)10-7-9-5-6-15-11(9)8-12(10)20-14(17)19-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate?
ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxycarbonyloxy-7H-indole-5-carboxylate is sourced from PubChem (CID 150800086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).