(4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine

C9H13NO — CID 89279937

IUPAC(4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine
SMILESC1=CCC([C@@H]2COCN2)C=C1
InChIInChI=1S/C9H13NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-4,8-10H,5-7H2/t8?,9-/m0/s1
InChIKeyFAGMMPAMAZYCAG-GKAPJAKFSA-N
MW151.21 g/mol
LogP1.06
Rot. Bonds1

About (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine

(4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine (PubChem CID 89279937) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine
PubChem CID89279937
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine
SMILESC1=CCC([C@@H]2COCN2)C=C1
InChIInChI=1S/C9H13NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-4,8-10H,5-7H2/t8?,9-/m0/s1
InChIKeyFAGMMPAMAZYCAG-GKAPJAKFSA-N
XLogP1.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine?
The IUPAC name of (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine (CID 89279937) is (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine.
What is the SMILES notation for (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine?
The canonical SMILES for (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine is C1=CCC([C@@H]2COCN2)C=C1.
What is the InChIKey of (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine?
The InChIKey is FAGMMPAMAZYCAG-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-4,8-10H,5-7H2/t8?,9-/m0/s1.
What are the key properties of (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine?
(4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine has a molecular weight of 151.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidine is sourced from PubChem (CID 89279937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).