(2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine

C15H19NO — CID 70904789

IUPAC(2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine
SMILESCCN1/C=C/C=C\C=C(/C)OC2=C1C=CCC2
InChIInChI=1S/C15H19NO/c1-3-16-12-8-4-5-9-13(2)17-15-11-7-6-10-14(15)16/h4-6,8-10,12H,3,7,11H2,1-2H3/b5-4-,12-8+,13-9+
InChIKeyQOELIUPTLRWLSX-NHXPPBEUSA-N
MW229.32 g/mol
LogP3.87
Rot. Bonds1

About (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine

(2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine (PubChem CID 70904789) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine.

Molecular Properties

Compound Name(2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine
PubChem CID70904789
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine
SMILESCCN1/C=C/C=C\C=C(/C)OC2=C1C=CCC2
InChIInChI=1S/C15H19NO/c1-3-16-12-8-4-5-9-13(2)17-15-11-7-6-10-14(15)16/h4-6,8-10,12H,3,7,11H2,1-2H3/b5-4-,12-8+,13-9+
InChIKeyQOELIUPTLRWLSX-NHXPPBEUSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine?
The IUPAC name of (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine (CID 70904789) is (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine.
What is the SMILES notation for (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine?
The canonical SMILES for (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine is CCN1/C=C/C=C\C=C(/C)OC2=C1C=CCC2.
What is the InChIKey of (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine?
The InChIKey is QOELIUPTLRWLSX-NHXPPBEUSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-16-12-8-4-5-9-13(2)17-15-11-7-6-10-14(15)16/h4-6,8-10,12H,3,7,11H2,1-2H3/b5-4-,12-8+,13-9+.
What are the key properties of (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine?
(2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine has a molecular weight of 229.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine is sourced from PubChem (CID 70904789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).