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

C6H9NO — CID 159307697

IUPAC(2Z)-5,6-dihydro-4H-1,4-oxazocine
SMILESC1=CO/C=C\NCC1
InChIInChI=1S/C6H9NO/c1-2-5-8-6-4-7-3-1/h2,4-7H,1,3H2/b5-2?,6-4-
InChIKeyLYPURMNDOUYREC-JCJBRMNHSA-N
MW111.14 g/mol
LogP0.98
Rot. Bonds

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

(2Z)-5,6-dihydro-4H-1,4-oxazocine (PubChem CID 159307697) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (2Z)-5,6-dihydro-4H-1,4-oxazocine.

Molecular Properties

Compound Name(2Z)-5,6-dihydro-4H-1,4-oxazocine
PubChem CID159307697
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(2Z)-5,6-dihydro-4H-1,4-oxazocine
SMILESC1=CO/C=C\NCC1
InChIInChI=1S/C6H9NO/c1-2-5-8-6-4-7-3-1/h2,4-7H,1,3H2/b5-2?,6-4-
InChIKeyLYPURMNDOUYREC-JCJBRMNHSA-N
XLogP0.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5,6-dihydro-4H-1,4-oxazocine?
The IUPAC name of (2Z)-5,6-dihydro-4H-1,4-oxazocine (CID 159307697) is (2Z)-5,6-dihydro-4H-1,4-oxazocine.
What is the SMILES notation for (2Z)-5,6-dihydro-4H-1,4-oxazocine?
The canonical SMILES for (2Z)-5,6-dihydro-4H-1,4-oxazocine is C1=CO/C=C\NCC1.
What is the InChIKey of (2Z)-5,6-dihydro-4H-1,4-oxazocine?
The InChIKey is LYPURMNDOUYREC-JCJBRMNHSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-8-6-4-7-3-1/h2,4-7H,1,3H2/b5-2?,6-4-.
What are the key properties of (2Z)-5,6-dihydro-4H-1,4-oxazocine?
(2Z)-5,6-dihydro-4H-1,4-oxazocine has a molecular weight of 111.14 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5,6-dihydro-4H-1,4-oxazocine is sourced from PubChem (CID 159307697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).