oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate

C12H13NO3 — CID 102606793

IUPACoxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate
SMILESO=C(OC1COC1)C1Cc2ccccc2N1
InChIInChI=1S/C12H13NO3/c14-12(16-9-6-15-7-9)11-5-8-3-1-2-4-10(8)13-11/h1-4,9,11,13H,5-7H2
InChIKeyFQJGXKGTGUQAKB-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.97
Rot. Bonds2

About oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate

oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 102606793) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate
PubChem CID102606793
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameoxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate
SMILESO=C(OC1COC1)C1Cc2ccccc2N1
InChIInChI=1S/C12H13NO3/c14-12(16-9-6-15-7-9)11-5-8-3-1-2-4-10(8)13-11/h1-4,9,11,13H,5-7H2
InChIKeyFQJGXKGTGUQAKB-UHFFFAOYSA-N
XLogP0.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate (CID 102606793) is oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate is O=C(OC1COC1)C1Cc2ccccc2N1.
What is the InChIKey of oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is FQJGXKGTGUQAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-12(16-9-6-15-7-9)11-5-8-3-1-2-4-10(8)13-11/h1-4,9,11,13H,5-7H2.
What are the key properties of oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate?
oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 102606793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).