1-benzyl-3,1-benzoxazine-2,4-dione

C15H11NO3 — CID 520756

IUPAC1-benzyl-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)16(15(18)19-14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyXZNZVRHSHRYPDL-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.00
Rot. Bonds2

About 1-benzyl-3,1-benzoxazine-2,4-dione

1-benzyl-3,1-benzoxazine-2,4-dione (PubChem CID 520756) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-benzyl-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3,1-benzoxazine-2,4-dione
PubChem CID520756
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name1-benzyl-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)16(15(18)19-14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyXZNZVRHSHRYPDL-UHFFFAOYSA-N
XLogP2.00
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 771877
1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 65489350
4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]benzonitrile
CID 58989817
1-benzyl-3,1-benzoxazine-2,4-dione;4H-isochromene-1,3-dione
CID 158268978
1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione
CID 58989914
3-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]benzonitrile
CID 141139474
4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide
CID 87500697
1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione
CID 11821306
1-but-2-enyl-3,1-benzoxazine-2,4-dione
CID 78925095
1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione;4H-isochromene-1,3-dione
CID 159366449
1-(2-propan-2-yloxyethyl)-3,1-benzoxazine-2,4-dione
CID 19099459
N-[4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]-2-pyridinyl]methanesulfonamide
CID 86615647

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-benzyl-3,1-benzoxazine-2,4-dione (CID 520756) is 1-benzyl-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-benzyl-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-benzyl-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3,1-benzoxazine-2,4-dione?
The InChIKey is XZNZVRHSHRYPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)16(15(18)19-14)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-benzyl-3,1-benzoxazine-2,4-dione?
1-benzyl-3,1-benzoxazine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 520756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).