2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole

C12H13NO2 — CID 67971280

IUPAC2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.O=C1CCc2ccccc21
InChIInChI=1S/C9H8O.C3H5NO/c10-9-6-5-7-3-1-2-4-8(7)9;1-2-5-3-4-1/h1-4H,5-6H2;3H,1-2H2
InChIKeyNOWHDMUAMMWABV-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.86
Rot. Bonds

About 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole

2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole (PubChem CID 67971280) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole
PubChem CID67971280
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.O=C1CCc2ccccc21
InChIInChI=1S/C9H8O.C3H5NO/c10-9-6-5-7-3-1-2-4-8(7)9;1-2-5-3-4-1/h1-4H,5-6H2;3H,1-2H2
InChIKeyNOWHDMUAMMWABV-UHFFFAOYSA-N
XLogP1.86
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole?
The IUPAC name of 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole (CID 67971280) is 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole is C1=NCCO1.O=C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole?
The InChIKey is NOWHDMUAMMWABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C3H5NO/c10-9-6-5-7-3-1-2-4-8(7)9;1-2-5-3-4-1/h1-4H,5-6H2;3H,1-2H2.
What are the key properties of 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole?
2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole has a molecular weight of 203.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67971280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).