(7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C13H15ClN2O3 — CID 144892113

IUPAC(7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCc1cn2c(c(Cl)c1=O)C(=O)N1C(C2)OCC[C@H]1C
InChIInChI=1S/C13H15ClN2O3/c1-7-5-15-6-9-16(8(2)3-4-19-9)13(18)11(15)10(14)12(7)17/h5,8-9H,3-4,6H2,1-2H3/t8-,9?/m1/s1
InChIKeyJNMCLTARGSQGFL-VEDVMXKPSA-N
MW282.73 g/mol
LogP1.40
Rot. Bonds

About (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

(7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 144892113) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name(7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID144892113
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCc1cn2c(c(Cl)c1=O)C(=O)N1C(C2)OCC[C@H]1C
InChIInChI=1S/C13H15ClN2O3/c1-7-5-15-6-9-16(8(2)3-4-19-9)13(18)11(15)10(14)12(7)17/h5,8-9H,3-4,6H2,1-2H3/t8-,9?/m1/s1
InChIKeyJNMCLTARGSQGFL-VEDVMXKPSA-N
XLogP1.40
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 144892113) is (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is Cc1cn2c(c(Cl)c1=O)C(=O)N1C(C2)OCC[C@H]1C.
What is the InChIKey of (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is JNMCLTARGSQGFL-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-7-5-15-6-9-16(8(2)3-4-19-9)13(18)11(15)10(14)12(7)17/h5,8-9H,3-4,6H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
(7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 282.73 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-11-chloro-7,13-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 144892113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).