6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane

C14H25NO — CID 153352481

IUPAC6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane
SMILESC=CC1=C(C=C)OC(C)(C)CN(C)C1.CC
InChIInChI=1S/C12H19NO.C2H6/c1-6-10-8-13(5)9-12(3,4)14-11(10)7-2;1-2/h6-7H,1-2,8-9H2,3-5H3;1-2H3
InChIKeyVAONHPFAKDLVCQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.38
Rot. Bonds2

About 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane

6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane (PubChem CID 153352481) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane.

Molecular Properties

Compound Name6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane
PubChem CID153352481
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane
SMILESC=CC1=C(C=C)OC(C)(C)CN(C)C1.CC
InChIInChI=1S/C12H19NO.C2H6/c1-6-10-8-13(5)9-12(3,4)14-11(10)7-2;1-2/h6-7H,1-2,8-9H2,3-5H3;1-2H3
InChIKeyVAONHPFAKDLVCQ-UHFFFAOYSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

5,10,10-Trimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 141922016
6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine
CID 142483680
6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine
CID 142511832
5,6-bis(ethenyl)-2,2,4-trimethyl-3H-1,4-oxazine
CID 143759819
ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
CID 144696064
7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
CID 144696065
6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane
CID 153359376
6-[(1Z)-buta-1,3-dienyl]-7-ethenyl-4-methyl-3,5-dihydro-2H-1,4-oxazepine
CID 169926227
6,7-bis(ethenyl)-2,2-dimethyl-4,5-dihydro-3H-1,4-oxazepine
CID 142511681
6,7-Bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine
CID 142511821
6,7-Bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine
CID 153352482

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane?
The IUPAC name of 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane (CID 153352481) is 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane.
What is the SMILES notation for 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane?
The canonical SMILES for 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane is C=CC1=C(C=C)OC(C)(C)CN(C)C1.CC.
What is the InChIKey of 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane?
The InChIKey is VAONHPFAKDLVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C2H6/c1-6-10-8-13(5)9-12(3,4)14-11(10)7-2;1-2/h6-7H,1-2,8-9H2,3-5H3;1-2H3.
What are the key properties of 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane?
6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane has a molecular weight of 223.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-2,2,4-trimethyl-3,5-dihydro-1,4-oxazepine;ethane is sourced from PubChem (CID 153352481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).