(2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine

C12H21NO — CID 118583775

IUPAC(2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine
SMILESCC(C)/C1=C(\C(C)C)OC/C=C\CN1
InChIInChI=1S/C12H21NO/c1-9(2)11-12(10(3)4)14-8-6-5-7-13-11/h5-6,9-10,13H,7-8H2,1-4H3/b6-5-,12-11-
InChIKeySGBZPYLMYAPDQL-KSIKAEMPSA-N
MW195.31 g/mol
LogP2.69
Rot. Bonds2

About (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine

(2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine (PubChem CID 118583775) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine.

Molecular Properties

Compound Name(2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine
PubChem CID118583775
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine
SMILESCC(C)/C1=C(\C(C)C)OC/C=C\CN1
InChIInChI=1S/C12H21NO/c1-9(2)11-12(10(3)4)14-8-6-5-7-13-11/h5-6,9-10,13H,7-8H2,1-4H3/b6-5-,12-11-
InChIKeySGBZPYLMYAPDQL-KSIKAEMPSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
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 (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine?
The IUPAC name of (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine (CID 118583775) is (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine.
What is the SMILES notation for (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine?
The canonical SMILES for (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine is CC(C)/C1=C(\C(C)C)OC/C=C\CN1.
What is the InChIKey of (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine?
The InChIKey is SGBZPYLMYAPDQL-KSIKAEMPSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)11-12(10(3)4)14-8-6-5-7-13-11/h5-6,9-10,13H,7-8H2,1-4H3/b6-5-,12-11-.
What are the key properties of (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine?
(2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine has a molecular weight of 195.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-2,3-di(propan-2-yl)-5,8-dihydro-4H-1,4-oxazocine is sourced from PubChem (CID 118583775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).