spiro[1,3-dihydroindole-2,3'-dioxirane]

C8H7NO2 — CID 174997993

IUPACspiro[1,3-dihydroindole-2,3'-dioxirane]
SMILESc1ccc2c(c1)CC1(N2)OO1
InChIInChI=1S/C8H7NO2/c1-2-4-7-6(3-1)5-8(9-7)10-11-8/h1-4,9H,5H2
InChIKeyDCEYQEMTUCPGOX-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.27
Rot. Bonds

About spiro[1,3-dihydroindole-2,3'-dioxirane]

spiro[1,3-dihydroindole-2,3'-dioxirane] (PubChem CID 174997993) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is spiro[1,3-dihydroindole-2,3'-dioxirane].

Molecular Properties

Compound Namespiro[1,3-dihydroindole-2,3'-dioxirane]
PubChem CID174997993
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Namespiro[1,3-dihydroindole-2,3'-dioxirane]
SMILESc1ccc2c(c1)CC1(N2)OO1
InChIInChI=1S/C8H7NO2/c1-2-4-7-6(3-1)5-8(9-7)10-11-8/h1-4,9H,5H2
InChIKeyDCEYQEMTUCPGOX-UHFFFAOYSA-N
XLogP1.27
TPSA37.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1,3-dihydroindole;ethane
CID 90930598
(2S)-spiro[1,3-dihydroindole-2,3'-oxirane]-2',2'-diol
CID 155488692
spiro[1,3-dihydroindole-2,3'-2,4-dihydro-1,2-benzoxazine]
CID 68534148
2-chloro-1,3-dihydroindole-2-carboxylic acid
CID 57188520
1'-methylspiro[1,3-dihydroindole-2,4'-piperidine]
CID 170208528
2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
CID 175545746
2-methyl-2-prop-2-enyl-1,3-dihydroindole
CID 102526165
(2R)-spiro[1,3-dihydroindole-2,2'-chromene]
CID 102496123
(2S)-spiro[1,3-dihydroindole-2,2'-1,4-benzoxazine]
CID 58843995
9,10-dihydroacridine
CID 137366999
N-[(2S)-2-methyl-1,3-dihydroindol-2-yl]acetamide
CID 97107696
2-methoxy-2-nitro-1,3-dihydroindole
CID 91275981

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroindole-2,3'-dioxirane]?
The IUPAC name of spiro[1,3-dihydroindole-2,3'-dioxirane] (CID 174997993) is spiro[1,3-dihydroindole-2,3'-dioxirane].
What is the SMILES notation for spiro[1,3-dihydroindole-2,3'-dioxirane]?
The canonical SMILES for spiro[1,3-dihydroindole-2,3'-dioxirane] is c1ccc2c(c1)CC1(N2)OO1.
What is the InChIKey of spiro[1,3-dihydroindole-2,3'-dioxirane]?
The InChIKey is DCEYQEMTUCPGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-2-4-7-6(3-1)5-8(9-7)10-11-8/h1-4,9H,5H2.
What are the key properties of spiro[1,3-dihydroindole-2,3'-dioxirane]?
spiro[1,3-dihydroindole-2,3'-dioxirane] has a molecular weight of 149.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroindole-2,3'-dioxirane] is sourced from PubChem (CID 174997993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).