(2E)-2-benzylidene-1,3-oxazolidine

C10H11NO — CID 102070685

IUPAC(2E)-2-benzylidene-1,3-oxazolidine
SMILESC(=C1\NCCO1)\c1ccccc1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,8,11H,6-7H2/b10-8+
InChIKeyQDSZTUZNJLMZQM-CSKARUKUSA-N
MW161.20 g/mol
LogP1.60
Rot. Bonds1

About (2E)-2-benzylidene-1,3-oxazolidine

(2E)-2-benzylidene-1,3-oxazolidine (PubChem CID 102070685) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (2E)-2-benzylidene-1,3-oxazolidine.

Molecular Properties

Compound Name(2E)-2-benzylidene-1,3-oxazolidine
PubChem CID102070685
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(2E)-2-benzylidene-1,3-oxazolidine
SMILESC(=C1\NCCO1)\c1ccccc1
InChIInChI=1S/C10H11NO/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,8,11H,6-7H2/b10-8+
InChIKeyQDSZTUZNJLMZQM-CSKARUKUSA-N
XLogP1.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-1,3-oxazolidine?
The IUPAC name of (2E)-2-benzylidene-1,3-oxazolidine (CID 102070685) is (2E)-2-benzylidene-1,3-oxazolidine.
What is the SMILES notation for (2E)-2-benzylidene-1,3-oxazolidine?
The canonical SMILES for (2E)-2-benzylidene-1,3-oxazolidine is C(=C1\NCCO1)\c1ccccc1.
What is the InChIKey of (2E)-2-benzylidene-1,3-oxazolidine?
The InChIKey is QDSZTUZNJLMZQM-CSKARUKUSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,8,11H,6-7H2/b10-8+.
What are the key properties of (2E)-2-benzylidene-1,3-oxazolidine?
(2E)-2-benzylidene-1,3-oxazolidine has a molecular weight of 161.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-1,3-oxazolidine is sourced from PubChem (CID 102070685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).