(3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one

C10H9NO2 — CID 55265375

IUPAC(3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one
SMILESO=C1OC[C@@H]2Cc3ccccc3N12
InChIInChI=1S/C10H9NO2/c12-10-11-8(6-13-10)5-7-3-1-2-4-9(7)11/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyUYWJEDRSVUARIX-QMMMGPOBSA-N
MW175.19 g/mol
LogP1.57
Rot. Bonds

About (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one

(3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one (PubChem CID 55265375) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one.

Molecular Properties

Compound Name(3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one
PubChem CID55265375
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one
SMILESO=C1OC[C@@H]2Cc3ccccc3N12
InChIInChI=1S/C10H9NO2/c12-10-11-8(6-13-10)5-7-3-1-2-4-9(7)11/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyUYWJEDRSVUARIX-QMMMGPOBSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one?
The IUPAC name of (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one (CID 55265375) is (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one.
What is the SMILES notation for (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one?
The canonical SMILES for (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one is O=C1OC[C@@H]2Cc3ccccc3N12.
What is the InChIKey of (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one?
The InChIKey is UYWJEDRSVUARIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-11-8(6-13-10)5-7-3-1-2-4-9(7)11/h1-4,8H,5-6H2/t8-/m0/s1.
What are the key properties of (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one?
(3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one is sourced from PubChem (CID 55265375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).