2-(3-chlorophenyl)-5-methylideneoxadiazolidine

C9H9ClN2O — CID 90892264

IUPAC2-(3-chlorophenyl)-5-methylideneoxadiazolidine
SMILESC=C1CNN(c2cccc(Cl)c2)O1
InChIInChI=1S/C9H9ClN2O/c1-7-6-11-12(13-7)9-4-2-3-8(10)5-9/h2-5,11H,1,6H2
InChIKeyOHAKIWAYWITAPD-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.11
Rot. Bonds1

About 2-(3-chlorophenyl)-5-methylideneoxadiazolidine

2-(3-chlorophenyl)-5-methylideneoxadiazolidine (PubChem CID 90892264) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methylideneoxadiazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methylideneoxadiazolidine
PubChem CID90892264
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-(3-chlorophenyl)-5-methylideneoxadiazolidine
SMILESC=C1CNN(c2cccc(Cl)c2)O1
InChIInChI=1S/C9H9ClN2O/c1-7-6-11-12(13-7)9-4-2-3-8(10)5-9/h2-5,11H,1,6H2
InChIKeyOHAKIWAYWITAPD-UHFFFAOYSA-N
XLogP2.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methylideneoxadiazolidine?
The IUPAC name of 2-(3-chlorophenyl)-5-methylideneoxadiazolidine (CID 90892264) is 2-(3-chlorophenyl)-5-methylideneoxadiazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methylideneoxadiazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-5-methylideneoxadiazolidine is C=C1CNN(c2cccc(Cl)c2)O1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methylideneoxadiazolidine?
The InChIKey is OHAKIWAYWITAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-7-6-11-12(13-7)9-4-2-3-8(10)5-9/h2-5,11H,1,6H2.
What are the key properties of 2-(3-chlorophenyl)-5-methylideneoxadiazolidine?
2-(3-chlorophenyl)-5-methylideneoxadiazolidine has a molecular weight of 196.64 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methylideneoxadiazolidine is sourced from PubChem (CID 90892264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).