6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one

C14H11NO2 — CID 11775838

IUPAC6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one
SMILESO=C1Nc2ccccc2COc2ccccc21
InChIInChI=1S/C14H11NO2/c16-14-11-6-2-4-8-13(11)17-9-10-5-1-3-7-12(10)15-14/h1-8H,9H2,(H,15,16)
InChIKeyKRTWVBQMVHPDKR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.83
Rot. Bonds

About 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one

6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one (PubChem CID 11775838) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one.

Molecular Properties

Compound Name6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one
PubChem CID11775838
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one
SMILESO=C1Nc2ccccc2COc2ccccc21
InChIInChI=1S/C14H11NO2/c16-14-11-6-2-4-8-13(11)17-9-10-5-1-3-7-12(10)15-14/h1-8H,9H2,(H,15,16)
InChIKeyKRTWVBQMVHPDKR-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
CID 154202632
6H-benzo[c]chromene;hydrobromide
CID 70547533
1-benzofuran-3-one;ethane
CID 90876800
6,18-dimethyl-12-methylidene-10,14,29,32,35,38-hexaoxa-3,21-diazapentacyclo[37.4.0.04,9.015,20.023,28]tritetraconta-1(43),4(9),5,7,15(20),16,18,23,25,27,39,41-dodecaene-2,22-dione
CID 11114961
4H-1,4-benzoxazin-3-one;naphthalene
CID 165122765
3-hydroxy-4-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)pyrrole-2,5-dione
CID 163926642
sodium;3H-2-benzofuran-1-one;chloride
CID 174937502
3H-2-benzofuran-1-one;ethane
CID 90991348
4H-cyclopenta[c]chromen-2-one
CID 141099340
28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione
CID 102074227
8-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 102431030
3-bromo-5H-benzo[b][1,4]benzoxazepin-6-one
CID 57485433

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one?
The IUPAC name of 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one (CID 11775838) is 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one.
What is the SMILES notation for 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one?
The canonical SMILES for 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one is O=C1Nc2ccccc2COc2ccccc21.
What is the InChIKey of 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one?
The InChIKey is KRTWVBQMVHPDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14-11-6-2-4-8-13(11)17-9-10-5-1-3-7-12(10)15-14/h1-8H,9H2,(H,15,16).
What are the key properties of 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one?
6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one has a molecular weight of 225.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one is sourced from PubChem (CID 11775838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).