1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione

C8H7NO3 — CID 58997577

IUPAC1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione
SMILESO=C1C=CC2(C=C1)CC(=O)N2O
InChIInChI=1S/C8H7NO3/c10-6-1-3-8(4-2-6)5-7(11)9(8)12/h1-4,12H,5H2
InChIKeyDGYPZNNXYULRNT-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.04
Rot. Bonds

About 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione

1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione (PubChem CID 58997577) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione.

Molecular Properties

Compound Name1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione
PubChem CID58997577
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione
SMILESO=C1C=CC2(C=C1)CC(=O)N2O
InChIInChI=1S/C8H7NO3/c10-6-1-3-8(4-2-6)5-7(11)9(8)12/h1-4,12H,5H2
InChIKeyDGYPZNNXYULRNT-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E,10Z,14E)-cyclopentadeca-2,6,10,14-tetraen-1-one
CID 22818646
3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 118963012
1-hydroxy-1-azaspiro[3.5]nonane-2,7-dione
CID 141129975
spiro[5.5]undeca-1,4,9-trien-3-one
CID 12641997
1,2-dioxaspiro[2.5]octa-4,7-dien-6-one
CID 71337471
4-bromo-4-ethylcyclohexa-2,5-dien-1-one
CID 71332770
4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione
CID 14475486
2-propan-2-yl-1-propan-2-ylimino-2-azaspiro[4.5]deca-6,9-diene-3,8-dione
CID 12582288
4,4,7-trimethylcycloundeca-2,6,10-trien-1-one
CID 74348357
spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione
CID 14141979
1-methyl-3,4-dihydro-2H-azepin-7-one
CID 23402554
1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one
CID 101156960

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione?
The IUPAC name of 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione (CID 58997577) is 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione.
What is the SMILES notation for 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione?
The canonical SMILES for 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione is O=C1C=CC2(C=C1)CC(=O)N2O.
What is the InChIKey of 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione?
The InChIKey is DGYPZNNXYULRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-6-1-3-8(4-2-6)5-7(11)9(8)12/h1-4,12H,5H2.
What are the key properties of 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione?
1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione has a molecular weight of 165.15 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione is sourced from PubChem (CID 58997577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).