(1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide

C10H9NO4 — CID 124866121

IUPAC(1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide
SMILESNC(=O)C1=C[C@@H]2[C@H]3C=C[C@H]2C(=O)O[C@H]3O1
InChIInChI=1S/C10H9NO4/c11-8(12)7-3-6-4-1-2-5(6)10(14-7)15-9(4)13/h1-6,10H,(H2,11,12)/t4-,5-,6+,10-/m1/s1
InChIKeyNBVNAFAEYGKTPJ-XTWHOAMZSA-N
MW207.19 g/mol
LogP-0.31
Rot. Bonds1

About (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide

(1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide (PubChem CID 124866121) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide.

Molecular Properties

Compound Name(1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide
PubChem CID124866121
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name(1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide
SMILESNC(=O)C1=C[C@@H]2[C@H]3C=C[C@H]2C(=O)O[C@H]3O1
InChIInChI=1S/C10H9NO4/c11-8(12)7-3-6-4-1-2-5(6)10(14-7)15-9(4)13/h1-6,10H,(H2,11,12)/t4-,5-,6+,10-/m1/s1
InChIKeyNBVNAFAEYGKTPJ-XTWHOAMZSA-N
XLogP-0.31
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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5-piperazin-1-yl-3a,7a-dihydro-1-benzofuran-2-carboxamide
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CID 10909755
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CID 102096343
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CID 124916328
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CID 24746736
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CID 174254663
2-anilino-2H-pyran-6-carboxamide
CID 172587897
bicyclo[2.1.0]pent-2-en-5-one
CID 71441751
(1S,3aR,4S,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylic acid
CID 10911184
1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide
CID 163933343

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide?
The IUPAC name of (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide (CID 124866121) is (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide.
What is the SMILES notation for (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide?
The canonical SMILES for (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide is NC(=O)C1=C[C@@H]2[C@H]3C=C[C@H]2C(=O)O[C@H]3O1.
What is the InChIKey of (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide?
The InChIKey is NBVNAFAEYGKTPJ-XTWHOAMZSA-N. The full InChI is InChI=1S/C10H9NO4/c11-8(12)7-3-6-4-1-2-5(6)10(14-7)15-9(4)13/h1-6,10H,(H2,11,12)/t4-,5-,6+,10-/m1/s1.
What are the key properties of (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide?
(1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide has a molecular weight of 207.19 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7R,8R)-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide is sourced from PubChem (CID 124866121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).