3-formyl-1H-indole-7-carboxylate

C10H6NO3- — CID 3491557

IUPAC3-formyl-1H-indole-7-carboxylate
SMILESO=Cc1c[nH]c2c(C(=O)[O-])cccc12
InChIInChI=1S/C10H7NO3/c12-5-6-4-11-9-7(6)2-1-3-8(9)10(13)14/h1-5,11H,(H,13,14)/p-1
InChIKeyHABYJDPNVBUDGD-UHFFFAOYSA-M
MW188.16 g/mol
LogP0.34
Rot. Bonds2

About 3-formyl-1H-indole-7-carboxylate

3-formyl-1H-indole-7-carboxylate (PubChem CID 3491557) has the molecular formula C10H6NO3- and a molecular weight of 188.16 g/mol. Its IUPAC name is 3-formyl-1H-indole-7-carboxylate.

Molecular Properties

Compound Name3-formyl-1H-indole-7-carboxylate
PubChem CID3491557
Molecular FormulaC10H6NO3-
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name3-formyl-1H-indole-7-carboxylate
SMILESO=Cc1c[nH]c2c(C(=O)[O-])cccc12
InChIInChI=1S/C10H7NO3/c12-5-6-4-11-9-7(6)2-1-3-8(9)10(13)14/h1-5,11H,(H,13,14)/p-1
InChIKeyHABYJDPNVBUDGD-UHFFFAOYSA-M
XLogP0.34
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-1H-indole-7-carboxylate?
The IUPAC name of 3-formyl-1H-indole-7-carboxylate (CID 3491557) is 3-formyl-1H-indole-7-carboxylate.
What is the SMILES notation for 3-formyl-1H-indole-7-carboxylate?
The canonical SMILES for 3-formyl-1H-indole-7-carboxylate is O=Cc1c[nH]c2c(C(=O)[O-])cccc12.
What is the InChIKey of 3-formyl-1H-indole-7-carboxylate?
The InChIKey is HABYJDPNVBUDGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO3/c12-5-6-4-11-9-7(6)2-1-3-8(9)10(13)14/h1-5,11H,(H,13,14)/p-1.
What are the key properties of 3-formyl-1H-indole-7-carboxylate?
3-formyl-1H-indole-7-carboxylate has a molecular weight of 188.16 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-1H-indole-7-carboxylate is sourced from PubChem (CID 3491557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).