4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one

C14H23NO2 — CID 149056572

IUPAC4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one
SMILESO=C1CN(C2CCCCC2)C2CCCCC2O1
InChIInChI=1S/C14H23NO2/c16-14-10-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h11-13H,1-10H2
InChIKeyQKYNZVZSUBCFEE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.49
Rot. Bonds1

About 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one

4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one (PubChem CID 149056572) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one.

Molecular Properties

Compound Name4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one
PubChem CID149056572
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one
SMILESO=C1CN(C2CCCCC2)C2CCCCC2O1
InChIInChI=1S/C14H23NO2/c16-14-10-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h11-13H,1-10H2
InChIKeyQKYNZVZSUBCFEE-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one?
The IUPAC name of 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one (CID 149056572) is 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one.
What is the SMILES notation for 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one?
The canonical SMILES for 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one is O=C1CN(C2CCCCC2)C2CCCCC2O1.
What is the InChIKey of 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one?
The InChIKey is QKYNZVZSUBCFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14-10-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h11-13H,1-10H2.
What are the key properties of 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one?
4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one has a molecular weight of 237.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-one is sourced from PubChem (CID 149056572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).