6H-1,2-benzoxazocin-3-one

C10H9NO2 — CID 91235305

IUPAC6H-1,2-benzoxazocin-3-one
SMILESO=C1C=CCc2ccccc2ON1
InChIInChI=1S/C10H9NO2/c12-10-7-3-5-8-4-1-2-6-9(8)13-11-10/h1-4,6-7H,5H2,(H,11,12)
InChIKeyOLNVOSZSNGENOA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.21
Rot. Bonds

About 6H-1,2-benzoxazocin-3-one

6H-1,2-benzoxazocin-3-one (PubChem CID 91235305) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6H-1,2-benzoxazocin-3-one.

Molecular Properties

Compound Name6H-1,2-benzoxazocin-3-one
PubChem CID91235305
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name6H-1,2-benzoxazocin-3-one
SMILESO=C1C=CCc2ccccc2ON1
InChIInChI=1S/C10H9NO2/c12-10-7-3-5-8-4-1-2-6-9(8)13-11-10/h1-4,6-7H,5H2,(H,11,12)
InChIKeyOLNVOSZSNGENOA-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4H-1,2-benzoxazin-3-one
CID 158155909
(4Z)-1-oxo-2,6-dihydro-1,2-benzodiazocin-1-ium-3-one
CID 90044856
(13E)-2,5-dioxatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,13,16,18-heptaene
CID 15416999
4H-chromene;manganese
CID 67107670
2,17-dioxatricyclo[24.4.0.011,16]triaconta-1(30),8,11,13,15,23,26,28-octaene-3,18-dione
CID 123657286
2,3-dihydro-1,2-benzoxazole
CID 18782711
4H-chromene;methane;nickel
CID 89189143
barium(2+);4H-chromene;oxygen(2-)
CID 87914530
CID 173092419
CID 173092419
CID 173197830
CID 173197830
bis(4H-chromene);pentakis(dioxido(oxo)titanium);bis(niobium(5+))
CID 173240075
copper;1H-indene
CID 175216856

Frequently Asked Questions

What is the IUPAC name of 6H-1,2-benzoxazocin-3-one?
The IUPAC name of 6H-1,2-benzoxazocin-3-one (CID 91235305) is 6H-1,2-benzoxazocin-3-one.
What is the SMILES notation for 6H-1,2-benzoxazocin-3-one?
The canonical SMILES for 6H-1,2-benzoxazocin-3-one is O=C1C=CCc2ccccc2ON1.
What is the InChIKey of 6H-1,2-benzoxazocin-3-one?
The InChIKey is OLNVOSZSNGENOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-7-3-5-8-4-1-2-6-9(8)13-11-10/h1-4,6-7H,5H2,(H,11,12).
What are the key properties of 6H-1,2-benzoxazocin-3-one?
6H-1,2-benzoxazocin-3-one has a molecular weight of 175.19 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-1,2-benzoxazocin-3-one is sourced from PubChem (CID 91235305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).