3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine

C15H19NO — CID 170060319

IUPAC3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESC=CCC1=CC=CC2=C(C1)OCN(CC=C)C2
InChIInChI=1S/C15H19NO/c1-3-6-13-7-5-8-14-11-16(9-4-2)12-17-15(14)10-13/h3-5,7-8H,1-2,6,9-12H2
InChIKeyXGVSJQVTGXNNAM-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.18
Rot. Bonds4

About 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine

3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine (PubChem CID 170060319) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine.

Molecular Properties

Compound Name3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine
PubChem CID170060319
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine
SMILESC=CCC1=CC=CC2=C(C1)OCN(CC=C)C2
InChIInChI=1S/C15H19NO/c1-3-6-13-7-5-8-14-11-16(9-4-2)12-17-15(14)10-13/h3-5,7-8H,1-2,6,9-12H2
InChIKeyXGVSJQVTGXNNAM-UHFFFAOYSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
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 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine?
The IUPAC name of 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine (CID 170060319) is 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine.
What is the SMILES notation for 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine?
The canonical SMILES for 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine is C=CCC1=CC=CC2=C(C1)OCN(CC=C)C2.
What is the InChIKey of 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine?
The InChIKey is XGVSJQVTGXNNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-6-13-7-5-8-14-11-16(9-4-2)12-17-15(14)10-13/h3-5,7-8H,1-2,6,9-12H2.
What are the key properties of 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine?
3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine has a molecular weight of 229.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(prop-2-enyl)-4,9-dihydro-2H-cyclohepta[e][1,3]oxazine is sourced from PubChem (CID 170060319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).