3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one

C13H21NO2 — CID 70488011

IUPAC3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N(CC2=CCCCC2)C1
InChIInChI=1S/C13H21NO2/c1-13(2)9-14(12(15)16-10-13)8-11-6-4-3-5-7-11/h6H,3-5,7-10H2,1-2H3
InChIKeyDNYFNWHXAKBUNM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.97
Rot. Bonds2

About 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one

3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 70488011) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID70488011
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N(CC2=CCCCC2)C1
InChIInChI=1S/C13H21NO2/c1-13(2)9-14(12(15)16-10-13)8-11-6-4-3-5-7-11/h6H,3-5,7-10H2,1-2H3
InChIKeyDNYFNWHXAKBUNM-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one (CID 70488011) is 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one is CC1(C)COC(=O)N(CC2=CCCCC2)C1.
What is the InChIKey of 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is DNYFNWHXAKBUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2)9-14(12(15)16-10-13)8-11-6-4-3-5-7-11/h6H,3-5,7-10H2,1-2H3.
What are the key properties of 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one?
3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 70488011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).