(5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine

C10H19NO — CID 176825566

IUPAC(5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine
SMILESCC(C)(C)C1CN/C=C\CCO1
InChIInChI=1S/C10H19NO/c1-10(2,3)9-8-11-6-4-5-7-12-9/h4,6,9,11H,5,7-8H2,1-3H3/b6-4-
InChIKeyXODYKCSBGGBDEU-XQRVVYSFSA-N
MW169.27 g/mol
LogP1.92
Rot. Bonds

About (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine

(5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine (PubChem CID 176825566) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine.

Molecular Properties

Compound Name(5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine
PubChem CID176825566
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine
SMILESCC(C)(C)C1CN/C=C\CCO1
InChIInChI=1S/C10H19NO/c1-10(2,3)9-8-11-6-4-5-7-12-9/h4,6,9,11H,5,7-8H2,1-3H3/b6-4-
InChIKeyXODYKCSBGGBDEU-XQRVVYSFSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine?
The IUPAC name of (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine (CID 176825566) is (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine.
What is the SMILES notation for (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine?
The canonical SMILES for (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine is CC(C)(C)C1CN/C=C\CCO1.
What is the InChIKey of (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine?
The InChIKey is XODYKCSBGGBDEU-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)9-8-11-6-4-5-7-12-9/h4,6,9,11H,5,7-8H2,1-3H3/b6-4-.
What are the key properties of (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine?
(5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine has a molecular weight of 169.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-tert-butyl-3,4,7,8-tetrahydro-2H-1,4-oxazocine is sourced from PubChem (CID 176825566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).