2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one

C18H13NO2 — CID 6489068

IUPAC2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccc3ccccc3c2)Oc2ccccc21
InChIInChI=1S/C18H13NO2/c20-17-15-7-3-4-8-16(15)21-18(19-17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18H,(H,19,20)
InChIKeyXHWFVMVKBZRTHO-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.66
Rot. Bonds1

About 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one

2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 6489068) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID6489068
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccc3ccccc3c2)Oc2ccccc21
InChIInChI=1S/C18H13NO2/c20-17-15-7-3-4-8-16(15)21-18(19-17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18H,(H,19,20)
InChIKeyXHWFVMVKBZRTHO-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one (CID 6489068) is 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one is O=C1NC(c2ccc3ccccc3c2)Oc2ccccc21.
What is the InChIKey of 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is XHWFVMVKBZRTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-17-15-7-3-4-8-16(15)21-18(19-17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18H,(H,19,20).
What are the key properties of 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one?
2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 275.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 6489068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).