1-aminooxybenzo[b]phenalen-7-one

C17H11NO2 — CID 163979497

IUPAC1-aminooxybenzo[b]phenalen-7-one
SMILESNOc1ccc2cccc3c2c1-c1ccccc1C3=O
InChIInChI=1S/C17H11NO2/c18-20-14-9-8-10-4-3-7-13-15(10)16(14)11-5-1-2-6-12(11)17(13)19/h1-9H,18H2
InChIKeySXCWENQFBDPQOR-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.30
Rot. Bonds1

About 1-aminooxybenzo[b]phenalen-7-one

1-aminooxybenzo[b]phenalen-7-one (PubChem CID 163979497) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-aminooxybenzo[b]phenalen-7-one.

Molecular Properties

Compound Name1-aminooxybenzo[b]phenalen-7-one
PubChem CID163979497
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name1-aminooxybenzo[b]phenalen-7-one
SMILESNOc1ccc2cccc3c2c1-c1ccccc1C3=O
InChIInChI=1S/C17H11NO2/c18-20-14-9-8-10-4-3-7-13-15(10)16(14)11-5-1-2-6-12(11)17(13)19/h1-9H,18H2
InChIKeySXCWENQFBDPQOR-UHFFFAOYSA-N
XLogP3.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenoxybenzo[b]phenalen-7-one
CID 154332188
2-amino-1-(7-oxobenzo[a]phenalen-1-yl)peroxybenzo[b]phenalen-7-one
CID 163770722
1-phenylbenzo[b]phenalen-7-one
CID 12547034
1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one
CID 154105159
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
3-phenoxyacenaphthylene-1,2-dione
CID 67381616
benzo[a]phenalen-7-one;ethane
CID 90765972
1,2-dichlorobenzo[b]phenalen-7-one
CID 20841807
fluoranthen-1-yl prop-2-enoate
CID 164546686
fluoranthen-1-yl 2-methylprop-2-enoate
CID 164546772
2-chloro-1-hydroxybenzo[b]phenalen-7-one
CID 139691775
2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one
CID 13402446

Frequently Asked Questions

What is the IUPAC name of 1-aminooxybenzo[b]phenalen-7-one?
The IUPAC name of 1-aminooxybenzo[b]phenalen-7-one (CID 163979497) is 1-aminooxybenzo[b]phenalen-7-one.
What is the SMILES notation for 1-aminooxybenzo[b]phenalen-7-one?
The canonical SMILES for 1-aminooxybenzo[b]phenalen-7-one is NOc1ccc2cccc3c2c1-c1ccccc1C3=O.
What is the InChIKey of 1-aminooxybenzo[b]phenalen-7-one?
The InChIKey is SXCWENQFBDPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c18-20-14-9-8-10-4-3-7-13-15(10)16(14)11-5-1-2-6-12(11)17(13)19/h1-9H,18H2.
What are the key properties of 1-aminooxybenzo[b]phenalen-7-one?
1-aminooxybenzo[b]phenalen-7-one has a molecular weight of 261.28 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxybenzo[b]phenalen-7-one is sourced from PubChem (CID 163979497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).