5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one

C13H13NO3 — CID 43160614

IUPAC5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CCCO3)ccc2N1
InChIInChI=1S/C13H13NO3/c15-12-7-9-6-8(3-4-10(9)14-12)13(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5,7H2,(H,14,15)
InChIKeyVGZHEIKTSCFGMT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.54
Rot. Bonds2

About 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one

5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 43160614) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
PubChem CID43160614
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CCCO3)ccc2N1
InChIInChI=1S/C13H13NO3/c15-12-7-9-6-8(3-4-10(9)14-12)13(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5,7H2,(H,14,15)
InChIKeyVGZHEIKTSCFGMT-UHFFFAOYSA-N
XLogP1.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one (CID 43160614) is 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)C3CCCO3)ccc2N1.
What is the InChIKey of 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is VGZHEIKTSCFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12-7-9-6-8(3-4-10(9)14-12)13(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5,7H2,(H,14,15).
What are the key properties of 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one?
5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43160614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).