(2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine

C8H13NO — CID 118586826

IUPAC(2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine
SMILESC/C1=C(\C)OC/C=C\CN1
InChIInChI=1S/C8H13NO/c1-7-8(2)10-6-4-3-5-9-7/h3-4,9H,5-6H2,1-2H3/b4-3-,8-7-
InChIKeyTUXKNUHPSAHDFN-KPDBFRNYSA-N
MW139.20 g/mol
LogP1.41
Rot. Bonds

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

(2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine (PubChem CID 118586826) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine.

Molecular Properties

Compound Name(2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine
PubChem CID118586826
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine
SMILESC/C1=C(\C)OC/C=C\CN1
InChIInChI=1S/C8H13NO/c1-7-8(2)10-6-4-3-5-9-7/h3-4,9H,5-6H2,1-2H3/b4-3-,8-7-
InChIKeyTUXKNUHPSAHDFN-KPDBFRNYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.41
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-dimethyl-5,8-dihydro-4H-1,4-oxazocine?
The IUPAC name of (2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine (CID 118586826) is (2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine.
What is the SMILES notation for (2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine?
The canonical SMILES for (2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine is C/C1=C(\C)OC/C=C\CN1.
What is the InChIKey of (2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine?
The InChIKey is TUXKNUHPSAHDFN-KPDBFRNYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-8(2)10-6-4-3-5-9-7/h3-4,9H,5-6H2,1-2H3/b4-3-,8-7-.
What are the key properties of (2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine?
(2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine has a molecular weight of 139.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-2,3-dimethyl-5,8-dihydro-4H-1,4-oxazocine is sourced from PubChem (CID 118586826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).