6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one

C11H11NO2 — CID 6793134

IUPAC6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESO=C1C(=NO)CCCc2ccccc21
InChIInChI=1S/C11H11NO2/c13-11-9-6-2-1-4-8(9)5-3-7-10(11)12-14/h1-2,4,6,14H,3,5,7H2
InChIKeyNLMLFECVGLNYHO-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.04
Rot. Bonds

About 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one

6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one (PubChem CID 6793134) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one.

Molecular Properties

Compound Name6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one
PubChem CID6793134
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESO=C1C(=NO)CCCc2ccccc21
InChIInChI=1S/C11H11NO2/c13-11-9-6-2-1-4-8(9)5-3-7-10(11)12-14/h1-2,4,6,14H,3,5,7H2
InChIKeyNLMLFECVGLNYHO-UHFFFAOYSA-N
XLogP2.04
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 9566063
1,2-Propanedione, 1-phenyl-, 2-oxime
CID 6399024
Isonitrosoacetophenone
CID 9566037
Benzosuberone
CID 70003
(1E)-1,2-Diphenyl-1,2-ethanedione 1-oxime
CID 6399014
2-(Hydroxyimino)-2,3-dihydro-1H-inden-1-one
CID 6399489
Benzil (Z)-monoxime
CID 6398987
(Z)-N-(1-oxo-1H-inden-2(3H)-ylidene)methanamine oxide
CID 660555
2-Hydroxyimino-1-tetralone
CID 6813148
(2E)-2-hydroxyimino-3H-inden-1-one
CID 6401247
2-Hydroxyimino-1-phenylethanone
CID 6399018
2-(Hydroxyimino)-1H-indene-1,3(2H)-dione
CID 316190

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one?
The IUPAC name of 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one (CID 6793134) is 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one.
What is the SMILES notation for 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one?
The canonical SMILES for 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one is O=C1C(=NO)CCCc2ccccc21.
What is the InChIKey of 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one?
The InChIKey is NLMLFECVGLNYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11-9-6-2-1-4-8(9)5-3-7-10(11)12-14/h1-2,4,6,14H,3,5,7H2.
What are the key properties of 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one?
6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one has a molecular weight of 189.21 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-5-one is sourced from PubChem (CID 6793134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).