2-(oxetan-3-yl)-1H-indole

C11H11NO — CID 151869222

IUPAC2-(oxetan-3-yl)-1H-indole
SMILESc1ccc2[nH]c(C3COC3)cc2c1
InChIInChI=1S/C11H11NO/c1-2-4-10-8(3-1)5-11(12-10)9-6-13-7-9/h1-5,9,12H,6-7H2
InChIKeySMIGUWSTMNLNCD-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.28
Rot. Bonds1

About 2-(oxetan-3-yl)-1H-indole

2-(oxetan-3-yl)-1H-indole (PubChem CID 151869222) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(oxetan-3-yl)-1H-indole.

Molecular Properties

Compound Name2-(oxetan-3-yl)-1H-indole
PubChem CID151869222
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-(oxetan-3-yl)-1H-indole
SMILESc1ccc2[nH]c(C3COC3)cc2c1
InChIInChI=1S/C11H11NO/c1-2-4-10-8(3-1)5-11(12-10)9-6-13-7-9/h1-5,9,12H,6-7H2
InChIKeySMIGUWSTMNLNCD-UHFFFAOYSA-N
XLogP2.28
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(oxiran-2-yl)-1H-indole
CID 19919203
2-cyclohexyl-1H-indole
CID 607977
3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid
CID 139695421
2-cyclohexa-2,4-dien-1-yl-1H-indole
CID 67925862
cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid
CID 155903939
2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole
CID 71604947
3-[4-(1H-indol-2-yl)piperidin-1-yl]propanenitrile
CID 56821592
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol
CID 11736785
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
3-(1H-indol-2-yl)piperidine-2,2,5-triamine
CID 151410944

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)-1H-indole?
The IUPAC name of 2-(oxetan-3-yl)-1H-indole (CID 151869222) is 2-(oxetan-3-yl)-1H-indole.
What is the SMILES notation for 2-(oxetan-3-yl)-1H-indole?
The canonical SMILES for 2-(oxetan-3-yl)-1H-indole is c1ccc2[nH]c(C3COC3)cc2c1.
What is the InChIKey of 2-(oxetan-3-yl)-1H-indole?
The InChIKey is SMIGUWSTMNLNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-4-10-8(3-1)5-11(12-10)9-6-13-7-9/h1-5,9,12H,6-7H2.
What are the key properties of 2-(oxetan-3-yl)-1H-indole?
2-(oxetan-3-yl)-1H-indole has a molecular weight of 173.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)-1H-indole is sourced from PubChem (CID 151869222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).