3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile

C13H10N2O2 — CID 116922272

IUPAC3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile
SMILESN#CC1(C(=O)c2c[nH]c3ccccc23)COC1
InChIInChI=1S/C13H10N2O2/c14-6-13(7-17-8-13)12(16)10-5-15-11-4-2-1-3-9(10)11/h1-5,15H,7-8H2
InChIKeyDBUXJWHPVJQDNO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.89
Rot. Bonds2

About 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile

3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile (PubChem CID 116922272) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile
PubChem CID116922272
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile
SMILESN#CC1(C(=O)c2c[nH]c3ccccc23)COC1
InChIInChI=1S/C13H10N2O2/c14-6-13(7-17-8-13)12(16)10-5-15-11-4-2-1-3-9(10)11/h1-5,15H,7-8H2
InChIKeyDBUXJWHPVJQDNO-UHFFFAOYSA-N
XLogP1.89
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 1H-indole-3-carboxylate
CID 23698293
(2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone
CID 44626731
1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921378
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 78957665
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
CID 103742649
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-oxo-1H-indole-3-carboxamide
CID 88522766
CID 71567013
CID 71567013

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile?
The IUPAC name of 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile (CID 116922272) is 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile is N#CC1(C(=O)c2c[nH]c3ccccc23)COC1.
What is the InChIKey of 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile?
The InChIKey is DBUXJWHPVJQDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-6-13(7-17-8-13)12(16)10-5-15-11-4-2-1-3-9(10)11/h1-5,15H,7-8H2.
What are the key properties of 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile?
3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile is sourced from PubChem (CID 116922272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).