3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one

C19H13NO2 — CID 172994211

IUPAC3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one
SMILESO=C1Oc2ccccc2N=CC1c1ccc2ccccc2c1
InChIInChI=1S/C19H13NO2/c21-19-16(12-20-17-7-3-4-8-18(17)22-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,16H
InChIKeyHRSWGNUBCYHBMT-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.24
Rot. Bonds1

About 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one

3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one (PubChem CID 172994211) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one
PubChem CID172994211
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one
SMILESO=C1Oc2ccccc2N=CC1c1ccc2ccccc2c1
InChIInChI=1S/C19H13NO2/c21-19-16(12-20-17-7-3-4-8-18(17)22-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,16H
InChIKeyHRSWGNUBCYHBMT-UHFFFAOYSA-N
XLogP4.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one?
The IUPAC name of 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one (CID 172994211) is 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one.
What is the SMILES notation for 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one?
The canonical SMILES for 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one is O=C1Oc2ccccc2N=CC1c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one?
The InChIKey is HRSWGNUBCYHBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c21-19-16(12-20-17-7-3-4-8-18(17)22-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,16H.
What are the key properties of 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one?
3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one has a molecular weight of 287.32 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-3H-1,5-benzoxazepin-2-one is sourced from PubChem (CID 172994211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).