1H-indol-3-yl 1H-indole-3-carboxylate

C17H12N2O2 — CID 90824534

IUPAC1H-indol-3-yl 1H-indole-3-carboxylate
SMILESO=C(Oc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C17H12N2O2/c20-17(13-9-18-14-7-3-1-5-11(13)14)21-16-10-19-15-8-4-2-6-12(15)16/h1-10,18-19H
InChIKeyIWTGIYKHROIMIB-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.87
Rot. Bonds2

About 1H-indol-3-yl 1H-indole-3-carboxylate

1H-indol-3-yl 1H-indole-3-carboxylate (PubChem CID 90824534) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1H-indol-3-yl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name1H-indol-3-yl 1H-indole-3-carboxylate
PubChem CID90824534
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name1H-indol-3-yl 1H-indole-3-carboxylate
SMILESO=C(Oc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C17H12N2O2/c20-17(13-9-18-14-7-3-1-5-11(13)14)21-16-10-19-15-8-4-2-6-12(15)16/h1-10,18-19H
InChIKeyIWTGIYKHROIMIB-UHFFFAOYSA-N
XLogP3.87
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl quinoline-4-carboxylate
CID 154449060
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
4-(1H-indole-3-carbonyloxy)benzoic acid
CID 71564483
sodium 1H-indole-3-carboxylate
CID 23698293
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
(1,3-dioxoisoindol-2-yl)methyl 1H-indole-3-carboxylate
CID 7517850
phenylsulfanylmethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 156853470
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl 1H-indole-3-carboxylate?
The IUPAC name of 1H-indol-3-yl 1H-indole-3-carboxylate (CID 90824534) is 1H-indol-3-yl 1H-indole-3-carboxylate.
What is the SMILES notation for 1H-indol-3-yl 1H-indole-3-carboxylate?
The canonical SMILES for 1H-indol-3-yl 1H-indole-3-carboxylate is O=C(Oc1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl 1H-indole-3-carboxylate?
The InChIKey is IWTGIYKHROIMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17(13-9-18-14-7-3-1-5-11(13)14)21-16-10-19-15-8-4-2-6-12(15)16/h1-10,18-19H.
What are the key properties of 1H-indol-3-yl 1H-indole-3-carboxylate?
1H-indol-3-yl 1H-indole-3-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl 1H-indole-3-carboxylate is sourced from PubChem (CID 90824534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).