(1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione

C14H16N2O3 — CID 10879833

IUPAC(1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione
SMILESCN1C(=O)[C@]23C=C[C@H]1[C@@H]1C=C[C@@]2(COC3)C(=O)N1C
InChIInChI=1S/C14H16N2O3/c1-15-9-3-5-13(11(15)17)7-19-8-14(13)6-4-10(9)16(2)12(14)18/h3-6,9-10H,7-8H2,1-2H3/t9-,10-,13+,14+/m0/s1
InChIKeyUPILZNDYKFKARD-DUBDDPSESA-N
MW260.29 g/mol
LogP-0.20
Rot. Bonds

About (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione

(1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione (PubChem CID 10879833) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione.

Molecular Properties

Compound Name(1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione
PubChem CID10879833
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione
SMILESCN1C(=O)[C@]23C=C[C@H]1[C@@H]1C=C[C@@]2(COC3)C(=O)N1C
InChIInChI=1S/C14H16N2O3/c1-15-9-3-5-13(11(15)17)7-19-8-14(13)6-4-10(9)16(2)12(14)18/h3-6,9-10H,7-8H2,1-2H3/t9-,10-,13+,14+/m0/s1
InChIKeyUPILZNDYKFKARD-DUBDDPSESA-N
XLogP-0.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione?
The IUPAC name of (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione (CID 10879833) is (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione.
What is the SMILES notation for (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione?
The canonical SMILES for (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione is CN1C(=O)[C@]23C=C[C@H]1[C@@H]1C=C[C@@]2(COC3)C(=O)N1C.
What is the InChIKey of (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione?
The InChIKey is UPILZNDYKFKARD-DUBDDPSESA-N. The full InChI is InChI=1S/C14H16N2O3/c1-15-9-3-5-13(11(15)17)7-19-8-14(13)6-4-10(9)16(2)12(14)18/h3-6,9-10H,7-8H2,1-2H3/t9-,10-,13+,14+/m0/s1.
What are the key properties of (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione?
(1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione has a molecular weight of 260.29 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8S,9S)-7,10-dimethyl-3-oxa-7,10-diazatetracyclo[7.2.2.25,8.01,5]pentadeca-12,14-diene-6,11-dione is sourced from PubChem (CID 10879833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).