(2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine

C8H15NO — CID 118586817

IUPAC(2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine
SMILESC/C1=C(\C)OCCCCN1
InChIInChI=1S/C8H15NO/c1-7-8(2)10-6-4-3-5-9-7/h9H,3-6H2,1-2H3/b8-7-
InChIKeyHJFZYQDIPLSCIH-FPLPWBNLSA-N
MW141.21 g/mol
LogP1.64
Rot. Bonds

About (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine

(2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine (PubChem CID 118586817) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine.

Molecular Properties

Compound Name(2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine
PubChem CID118586817
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine
SMILESC/C1=C(\C)OCCCCN1
InChIInChI=1S/C8H15NO/c1-7-8(2)10-6-4-3-5-9-7/h9H,3-6H2,1-2H3/b8-7-
InChIKeyHJFZYQDIPLSCIH-FPLPWBNLSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine?
The IUPAC name of (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine (CID 118586817) is (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine.
What is the SMILES notation for (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine?
The canonical SMILES for (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine is C/C1=C(\C)OCCCCN1.
What is the InChIKey of (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine?
The InChIKey is HJFZYQDIPLSCIH-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-8(2)10-6-4-3-5-9-7/h9H,3-6H2,1-2H3/b8-7-.
What are the key properties of (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine?
(2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine has a molecular weight of 141.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine is sourced from PubChem (CID 118586817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).