4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione

C12H11NO3 — CID 132577226

IUPAC4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione
SMILESCc1cccc2c1C1(CCC(=O)O1)C(=O)N2
InChIInChI=1S/C12H11NO3/c1-7-3-2-4-8-10(7)12(11(15)13-8)6-5-9(14)16-12/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyKQQWPDBKPIGDKM-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.48
Rot. Bonds

About 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione

4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione (PubChem CID 132577226) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione
PubChem CID132577226
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione
SMILESCc1cccc2c1C1(CCC(=O)O1)C(=O)N2
InChIInChI=1S/C12H11NO3/c1-7-3-2-4-8-10(7)12(11(15)13-8)6-5-9(14)16-12/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyKQQWPDBKPIGDKM-UHFFFAOYSA-N
XLogP1.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[1H-indole-3,2'-3,4-dihydrochromene]-2-one
CID 166063555
6-methylspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclohexane]-2-one
CID 115554290
6-methylspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cycloheptane]-2-one
CID 115554293
4-ethyl-5-methylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097630
7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione
CID 11807424
5-methyl-5-(3-methylphenyl)oxolan-2-one
CID 10679234
7-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 134431962
8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 83754411
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
6,6-diphenyloxan-2-one
CID 14144368
4,7-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 130049258
1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione
CID 170859544

Frequently Asked Questions

What is the IUPAC name of 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione (CID 132577226) is 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione is Cc1cccc2c1C1(CCC(=O)O1)C(=O)N2.
What is the InChIKey of 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is KQQWPDBKPIGDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-3-2-4-8-10(7)12(11(15)13-8)6-5-9(14)16-12/h2-4H,5-6H2,1H3,(H,13,15).
What are the key properties of 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione?
4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 217.22 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 132577226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).