1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one

C12H11NO2 — CID 11183268

IUPAC1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one
SMILESCC1(C)OC(=O)c2cc3ccccc3n21
InChIInChI=1S/C12H11NO2/c1-12(2)13-9-6-4-3-5-8(9)7-10(13)11(14)15-12/h3-7H,1-2H3
InChIKeyDMRUMYGLVXYXHL-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.50
Rot. Bonds

About 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one

1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one (PubChem CID 11183268) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one.

Molecular Properties

Compound Name1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one
PubChem CID11183268
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one
SMILESCC1(C)OC(=O)c2cc3ccccc3n21
InChIInChI=1S/C12H11NO2/c1-12(2)13-9-6-4-3-5-8(9)7-10(13)11(14)15-12/h3-7H,1-2H3
InChIKeyDMRUMYGLVXYXHL-UHFFFAOYSA-N
XLogP2.50
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one?
The IUPAC name of 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one (CID 11183268) is 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one.
What is the SMILES notation for 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one?
The canonical SMILES for 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one is CC1(C)OC(=O)c2cc3ccccc3n21.
What is the InChIKey of 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one?
The InChIKey is DMRUMYGLVXYXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-12(2)13-9-6-4-3-5-8(9)7-10(13)11(14)15-12/h3-7H,1-2H3.
What are the key properties of 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one?
1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one has a molecular weight of 201.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one is sourced from PubChem (CID 11183268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).