(1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide

C15H17N3O3 — CID 69345920

IUPAC(1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
SMILESC=CCON1C(=O)N2C[C@H]1c1ccccc1C2C(=O)NC
InChIInChI=1S/C15H17N3O3/c1-3-8-21-18-12-9-17(15(18)20)13(14(19)16-2)11-7-5-4-6-10(11)12/h3-7,12-13H,1,8-9H2,2H3,(H,16,19)/t12-,13?/m0/s1
InChIKeyRIXSCJRSUUODDS-UEWDXFNNSA-N
MW287.32 g/mol
LogP1.38
Rot. Bonds4

About (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide

(1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide (PubChem CID 69345920) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide.

Molecular Properties

Compound Name(1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
PubChem CID69345920
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
SMILESC=CCON1C(=O)N2C[C@H]1c1ccccc1C2C(=O)NC
InChIInChI=1S/C15H17N3O3/c1-3-8-21-18-12-9-17(15(18)20)13(14(19)16-2)11-7-5-4-6-10(11)12/h3-7,12-13H,1,8-9H2,2H3,(H,16,19)/t12-,13?/m0/s1
InChIKeyRIXSCJRSUUODDS-UEWDXFNNSA-N
XLogP1.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
The IUPAC name of (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide (CID 69345920) is (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide.
What is the SMILES notation for (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
The canonical SMILES for (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide is C=CCON1C(=O)N2C[C@H]1c1ccccc1C2C(=O)NC.
What is the InChIKey of (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
The InChIKey is RIXSCJRSUUODDS-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-8-21-18-12-9-17(15(18)20)13(14(19)16-2)11-7-5-4-6-10(11)12/h3-7,12-13H,1,8-9H2,2H3,(H,16,19)/t12-,13?/m0/s1.
What are the key properties of (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
(1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide is sourced from PubChem (CID 69345920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).