5-chlorospiro[1H-indole-3,4'-oxane]-2-one

C12H12ClNO2 — CID 106701967

IUPAC5-chlorospiro[1H-indole-3,4'-oxane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CCOCC2
InChIInChI=1S/C12H12ClNO2/c13-8-1-2-10-9(7-8)12(11(15)14-10)3-5-16-6-4-12/h1-2,7H,3-6H2,(H,14,15)
InChIKeyVPVIYEFIPRLRNA-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.34
Rot. Bonds

About 5-chlorospiro[1H-indole-3,4'-oxane]-2-one

5-chlorospiro[1H-indole-3,4'-oxane]-2-one (PubChem CID 106701967) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chlorospiro[1H-indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name5-chlorospiro[1H-indole-3,4'-oxane]-2-one
PubChem CID106701967
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name5-chlorospiro[1H-indole-3,4'-oxane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CCOCC2
InChIInChI=1S/C12H12ClNO2/c13-8-1-2-10-9(7-8)12(11(15)14-10)3-5-16-6-4-12/h1-2,7H,3-6H2,(H,14,15)
InChIKeyVPVIYEFIPRLRNA-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chlorospiro[1H-indole-3,4'-oxane]-2-one?
The IUPAC name of 5-chlorospiro[1H-indole-3,4'-oxane]-2-one (CID 106701967) is 5-chlorospiro[1H-indole-3,4'-oxane]-2-one.
What is the SMILES notation for 5-chlorospiro[1H-indole-3,4'-oxane]-2-one?
The canonical SMILES for 5-chlorospiro[1H-indole-3,4'-oxane]-2-one is O=C1Nc2ccc(Cl)cc2C12CCOCC2.
What is the InChIKey of 5-chlorospiro[1H-indole-3,4'-oxane]-2-one?
The InChIKey is VPVIYEFIPRLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-8-1-2-10-9(7-8)12(11(15)14-10)3-5-16-6-4-12/h1-2,7H,3-6H2,(H,14,15).
What are the key properties of 5-chlorospiro[1H-indole-3,4'-oxane]-2-one?
5-chlorospiro[1H-indole-3,4'-oxane]-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorospiro[1H-indole-3,4'-oxane]-2-one is sourced from PubChem (CID 106701967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).