3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane

C15H19NO — CID 175498105

IUPAC3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane
SMILESC.C1=CCC(N2COc3ccccc3C2)C=C1
InChIInChI=1S/C14H15NO.CH4/c1-2-7-13(8-3-1)15-10-12-6-4-5-9-14(12)16-11-15;/h1-7,9,13H,8,10-11H2;1H4
InChIKeyJHODUMQJUYLJPI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.36
Rot. Bonds1

About 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane

3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane (PubChem CID 175498105) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane
PubChem CID175498105
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane
SMILESC.C1=CCC(N2COc3ccccc3C2)C=C1
InChIInChI=1S/C14H15NO.CH4/c1-2-7-13(8-3-1)15-10-12-6-4-5-9-14(12)16-11-15;/h1-7,9,13H,8,10-11H2;1H4
InChIKeyJHODUMQJUYLJPI-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane (CID 175498105) is 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane is C.C1=CCC(N2COc3ccccc3C2)C=C1.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane?
The InChIKey is JHODUMQJUYLJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.CH4/c1-2-7-13(8-3-1)15-10-12-6-4-5-9-14(12)16-11-15;/h1-7,9,13H,8,10-11H2;1H4.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane?
3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane has a molecular weight of 229.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-2,4-dihydro-1,3-benzoxazine;methane is sourced from PubChem (CID 175498105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).