(5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine

C9H17NO — CID 58293713

IUPAC(5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine
SMILESCC1OCC/C=C\N(C)C1C
InChIInChI=1S/C9H17NO/c1-8-9(2)11-7-5-4-6-10(8)3/h4,6,8-9H,5,7H2,1-3H3/b6-4-
InChIKeyWXPKFLWOWKILKF-XQRVVYSFSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds

About (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine

(5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine (PubChem CID 58293713) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine.

Molecular Properties

Compound Name(5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine
PubChem CID58293713
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine
SMILESCC1OCC/C=C\N(C)C1C
InChIInChI=1S/C9H17NO/c1-8-9(2)11-7-5-4-6-10(8)3/h4,6,8-9H,5,7H2,1-3H3/b6-4-
InChIKeyWXPKFLWOWKILKF-XQRVVYSFSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine?
The IUPAC name of (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine (CID 58293713) is (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine.
What is the SMILES notation for (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine?
The canonical SMILES for (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine is CC1OCC/C=C\N(C)C1C.
What is the InChIKey of (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine?
The InChIKey is WXPKFLWOWKILKF-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-9(2)11-7-5-4-6-10(8)3/h4,6,8-9H,5,7H2,1-3H3/b6-4-.
What are the key properties of (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine?
(5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine has a molecular weight of 155.24 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine is sourced from PubChem (CID 58293713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).