3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine

C23H26N2O2 — CID 58350252

IUPAC3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine
SMILESC=CCN1COc2ccc(Cc3ccc4c(c3)CN(CC=C)CO4)cc2C1
InChIInChI=1S/C23H26N2O2/c1-3-9-24-14-20-12-18(5-7-22(20)26-16-24)11-19-6-8-23-21(13-19)15-25(10-4-2)17-27-23/h3-8,12-13H,1-2,9-11,14-17H2
InChIKeyBMZBYGDVQRVCGW-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.95
Rot. Bonds6

About 3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine

3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 58350252) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine
PubChem CID58350252
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine
SMILESC=CCN1COc2ccc(Cc3ccc4c(c3)CN(CC=C)CO4)cc2C1
InChIInChI=1S/C23H26N2O2/c1-3-9-24-14-20-12-18(5-7-22(20)26-16-24)11-19-6-8-23-21(13-19)15-25(10-4-2)17-27-23/h3-8,12-13H,1-2,9-11,14-17H2
InChIKeyBMZBYGDVQRVCGW-UHFFFAOYSA-N
XLogP3.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine (CID 58350252) is 3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine is C=CCN1COc2ccc(Cc3ccc4c(c3)CN(CC=C)CO4)cc2C1.
What is the InChIKey of 3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine?
The InChIKey is BMZBYGDVQRVCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-9-24-14-20-12-18(5-7-22(20)26-16-24)11-19-6-8-23-21(13-19)15-25(10-4-2)17-27-23/h3-8,12-13H,1-2,9-11,14-17H2.
What are the key properties of 3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine?
3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 362.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-6-[(3-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 58350252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).