ethyl 5-carbamoyl-1H-indole-2-carboxylate

C12H12N2O3 — CID 47162079

IUPACethyl 5-carbamoyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(N)=O)ccc2[nH]1
InChIInChI=1S/C12H12N2O3/c1-2-17-12(16)10-6-8-5-7(11(13)15)3-4-9(8)14-10/h3-6,14H,2H2,1H3,(H2,13,15)
InChIKeyHNSDWMLOQWSYEZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.44
Rot. Bonds3

About ethyl 5-carbamoyl-1H-indole-2-carboxylate

ethyl 5-carbamoyl-1H-indole-2-carboxylate (PubChem CID 47162079) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 5-carbamoyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-1H-indole-2-carboxylate
PubChem CID47162079
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 5-carbamoyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(N)=O)ccc2[nH]1
InChIInChI=1S/C12H12N2O3/c1-2-17-12(16)10-6-8-5-7(11(13)15)3-4-9(8)14-10/h3-6,14H,2H2,1H3,(H2,13,15)
InChIKeyHNSDWMLOQWSYEZ-UHFFFAOYSA-N
XLogP1.44
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-1H-indole-2-carboxylate (CID 47162079) is ethyl 5-carbamoyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(C(N)=O)ccc2[nH]1.
What is the InChIKey of ethyl 5-carbamoyl-1H-indole-2-carboxylate?
The InChIKey is HNSDWMLOQWSYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-17-12(16)10-6-8-5-7(11(13)15)3-4-9(8)14-10/h3-6,14H,2H2,1H3,(H2,13,15).
What are the key properties of ethyl 5-carbamoyl-1H-indole-2-carboxylate?
ethyl 5-carbamoyl-1H-indole-2-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-1H-indole-2-carboxylate is sourced from PubChem (CID 47162079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).