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

C13H23NO — CID 167071214

IUPAC(2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine
SMILESCC(C)=CCC/C1=C(\C)OCCCCN1
InChIInChI=1S/C13H23NO/c1-11(2)7-6-8-13-12(3)15-10-5-4-9-14-13/h7,14H,4-6,8-10H2,1-3H3/b13-12-
InChIKeyGVBYLDCOACPNEU-SEYXRHQNSA-N
MW209.33 g/mol
LogP3.36
Rot. Bonds3

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

(2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine (PubChem CID 167071214) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine.

Molecular Properties

Compound Name(2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine
PubChem CID167071214
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine
SMILESCC(C)=CCC/C1=C(\C)OCCCCN1
InChIInChI=1S/C13H23NO/c1-11(2)7-6-8-13-12(3)15-10-5-4-9-14-13/h7,14H,4-6,8-10H2,1-3H3/b13-12-
InChIKeyGVBYLDCOACPNEU-SEYXRHQNSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.36
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)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine?
The IUPAC name of (2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine (CID 167071214) is (2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine.
What is the SMILES notation for (2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine?
The canonical SMILES for (2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine is CC(C)=CCC/C1=C(\C)OCCCCN1.
What is the InChIKey of (2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine?
The InChIKey is GVBYLDCOACPNEU-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)7-6-8-13-12(3)15-10-5-4-9-14-13/h7,14H,4-6,8-10H2,1-3H3/b13-12-.
What are the key properties of (2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine?
(2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine has a molecular weight of 209.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methyl-3-(4-methylpent-3-enyl)-5,6,7,8-tetrahydro-4H-1,4-oxazocine is sourced from PubChem (CID 167071214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).