5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

C10H11NO3 — CID 150448346

IUPAC5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
SMILESNC(=O)C1OC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C10H11NO3/c11-9(12)8-6-4-1-2-5(3-4)7(6)10(13)14-8/h1-2,4-8H,3H2,(H2,11,12)
InChIKeyHNGBKXNPVXWYRV-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.16
Rot. Bonds1

About 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (PubChem CID 150448346) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.

Molecular Properties

Compound Name5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
PubChem CID150448346
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
SMILESNC(=O)C1OC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C10H11NO3/c11-9(12)8-6-4-1-2-5(3-4)7(6)10(13)14-8/h1-2,4-8H,3H2,(H2,11,12)
InChIKeyHNGBKXNPVXWYRV-UHFFFAOYSA-N
XLogP-0.16
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,5R,6S,7R)-5-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 14134914
(1R,2S,3S,4S,7S,8R,10S,11R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
CID 98478068
(1R,2S,6S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135037907
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
(1S,2R,4S,5R,6S)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 98474774
(1R,2S,4R,5S,6R)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 124764507
(1R,2R,4S,5R,6S)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 92962461
5-hydroxy-4-oxatricyclo[5.2.2.02,6]undec-8-en-3-one
CID 130122909
(1S,2R,6R,7S)-4-amino-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 18389288
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98054646
2-[(1R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 91653717

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
The IUPAC name of 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (CID 150448346) is 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.
What is the SMILES notation for 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
The canonical SMILES for 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is NC(=O)C1OC(=O)C2C3C=CC(C3)C12.
What is the InChIKey of 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
The InChIKey is HNGBKXNPVXWYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-9(12)8-6-4-1-2-5(3-4)7(6)10(13)14-8/h1-2,4-8H,3H2,(H2,11,12).
What are the key properties of 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide has a molecular weight of 193.20 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is sourced from PubChem (CID 150448346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).