3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione

C15H23NO3 — CID 3044070

IUPAC3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione
SMILESC=C1OC(=O)C(CC)(CC)C(=O)N1C1CCCCC1
InChIInChI=1S/C15H23NO3/c1-4-15(5-2)13(17)16(11(3)19-14(15)18)12-9-7-6-8-10-12/h12H,3-10H2,1-2H3
InChIKeyDRZFDUIONSEVKJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.98
Rot. Bonds3

About 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione

3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione (PubChem CID 3044070) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione.

Molecular Properties

Compound Name3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione
PubChem CID3044070
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione
SMILESC=C1OC(=O)C(CC)(CC)C(=O)N1C1CCCCC1
InChIInChI=1S/C15H23NO3/c1-4-15(5-2)13(17)16(11(3)19-14(15)18)12-9-7-6-8-10-12/h12H,3-10H2,1-2H3
InChIKeyDRZFDUIONSEVKJ-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione?
The IUPAC name of 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione (CID 3044070) is 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione.
What is the SMILES notation for 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione?
The canonical SMILES for 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione is C=C1OC(=O)C(CC)(CC)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione?
The InChIKey is DRZFDUIONSEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(5-2)13(17)16(11(3)19-14(15)18)12-9-7-6-8-10-12/h12H,3-10H2,1-2H3.
What are the key properties of 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione?
3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione has a molecular weight of 265.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione is sourced from PubChem (CID 3044070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).