(4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone

C11H12ClNO2 — CID 646604

IUPAC(4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCOC1
InChIInChI=1S/C11H12ClNO2/c12-10-4-2-9(3-5-10)11(14)13-6-1-7-15-8-13/h2-5H,1,6-8H2
InChIKeyOJOUCZPKSSJXIU-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.16
Rot. Bonds1

About (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone

(4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone (PubChem CID 646604) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone
PubChem CID646604
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCOC1
InChIInChI=1S/C11H12ClNO2/c12-10-4-2-9(3-5-10)11(14)13-6-1-7-15-8-13/h2-5H,1,6-8H2
InChIKeyOJOUCZPKSSJXIU-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone (CID 646604) is (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCCOC1.
What is the InChIKey of (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone?
The InChIKey is OJOUCZPKSSJXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-10-4-2-9(3-5-10)11(14)13-6-1-7-15-8-13/h2-5H,1,6-8H2.
What are the key properties of (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone?
(4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone has a molecular weight of 225.68 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 646604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).