4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

C8H7NO5 — CID 162787569

IUPAC4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1C2C3OC(C4OC43)C2C(=O)N1O
InChIInChI=1S/C8H7NO5/c10-7-1-2(8(11)9(7)12)4-6-5(14-6)3(1)13-4/h1-6,12H
InChIKeyNXJZAKXXTRPZMA-UHFFFAOYSA-N
MW197.15 g/mol
LogP-1.47
Rot. Bonds

About 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (PubChem CID 162787569) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.

Molecular Properties

Compound Name4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
PubChem CID162787569
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1C2C3OC(C4OC43)C2C(=O)N1O
InChIInChI=1S/C8H7NO5/c10-7-1-2(8(11)9(7)12)4-6-5(14-6)3(1)13-4/h1-6,12H
InChIKeyNXJZAKXXTRPZMA-UHFFFAOYSA-N
XLogP-1.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione with MolForge

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Related Compounds

Hexahydro-3h-2,6-epoxyoxireno[2,3-f]isoindole-3,5(4h)-dione
CID 143672229
4-Aminohexahydro-3h-2,6-epoxyoxireno[2,3-f]isoindole-3,5(4h)-dione
CID 162787568
Carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium
CID 58843011
5,6-Dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;ethanone;yttrium
CID 58843023
4-Butyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 60066210
Carbanide;5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium
CID 148915070
5,6-Dimethoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 156841483
Ethanone;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium
CID 159089531
2-Methyl-5,6-di(propan-2-yloxy)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 168112266

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The IUPAC name of 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (CID 162787569) is 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.
What is the SMILES notation for 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The canonical SMILES for 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is O=C1C2C3OC(C4OC43)C2C(=O)N1O.
What is the InChIKey of 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The InChIKey is NXJZAKXXTRPZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c10-7-1-2(8(11)9(7)12)4-6-5(14-6)3(1)13-4/h1-6,12H.
What are the key properties of 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione has a molecular weight of 197.15 g/mol, XLogP of -1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is sourced from PubChem (CID 162787569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).