(2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

C15H18N2O — CID 3067234

IUPAC(2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCN1CCO[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C15H18N2O/c1-16-6-7-18-15-11-4-3-5-12-14(11)10(8-13(15)16)9-17(12)2/h3-5,9,13,15H,6-8H2,1-2H3/t13-,15-/m1/s1
InChIKeyDRJWBVXPWDSRDR-UKRRQHHQSA-N
MW242.32 g/mol
LogP2.11
Rot. Bonds

About (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

(2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (PubChem CID 3067234) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.

Molecular Properties

Compound Name(2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
PubChem CID3067234
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCN1CCO[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C15H18N2O/c1-16-6-7-18-15-11-4-3-5-12-14(11)10(8-13(15)16)9-17(12)2/h3-5,9,13,15H,6-8H2,1-2H3/t13-,15-/m1/s1
InChIKeyDRJWBVXPWDSRDR-UKRRQHHQSA-N
XLogP2.11
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The IUPAC name of (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (CID 3067234) is (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.
What is the SMILES notation for (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The canonical SMILES for (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is CN1CCO[C@@H]2c3cccc4c3c(cn4C)C[C@H]21.
What is the InChIKey of (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The InChIKey is DRJWBVXPWDSRDR-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-6-7-18-15-11-4-3-5-12-14(11)10(8-13(15)16)9-17(12)2/h3-5,9,13,15H,6-8H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
(2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene has a molecular weight of 242.32 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-6,11-dimethyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is sourced from PubChem (CID 3067234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).