(3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate

C13H11NO5 — CID 166246456

IUPAC(3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESO=C1N[C@H](C(=O)OC2Cc3ccccc3C2=O)CO1
InChIInChI=1S/C13H11NO5/c15-11-8-4-2-1-3-7(8)5-10(11)19-12(16)9-6-18-13(17)14-9/h1-4,9-10H,5-6H2,(H,14,17)/t9-,10?/m0/s1
InChIKeyFLPFEUGPNDAMNF-RGURZIINSA-N
MW261.23 g/mol
LogP0.45
Rot. Bonds2

About (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate

(3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 166246456) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Name(3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID166246456
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name(3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESO=C1N[C@H](C(=O)OC2Cc3ccccc3C2=O)CO1
InChIInChI=1S/C13H11NO5/c15-11-8-4-2-1-3-7(8)5-10(11)19-12(16)9-6-18-13(17)14-9/h1-4,9-10H,5-6H2,(H,14,17)/t9-,10?/m0/s1
InChIKeyFLPFEUGPNDAMNF-RGURZIINSA-N
XLogP0.45
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 166246456) is (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate is O=C1N[C@H](C(=O)OC2Cc3ccccc3C2=O)CO1.
What is the InChIKey of (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is FLPFEUGPNDAMNF-RGURZIINSA-N. The full InChI is InChI=1S/C13H11NO5/c15-11-8-4-2-1-3-7(8)5-10(11)19-12(16)9-6-18-13(17)14-9/h1-4,9-10H,5-6H2,(H,14,17)/t9-,10?/m0/s1.
What are the key properties of (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate?
(3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 261.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1,2-dihydroinden-2-yl) (4S)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 166246456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).