(1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene

C17H19NO — CID 102266087

IUPAC(1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene
SMILESC[C@]12c3ccccc3CCN1C[C@H]1C[C@@H]3C=C[C@@]12O3
InChIInChI=1S/C17H19NO/c1-16-15-5-3-2-4-12(15)7-9-18(16)11-13-10-14-6-8-17(13,16)19-14/h2-6,8,13-14H,7,9-11H2,1H3/t13-,14+,16-,17-/m1/s1
InChIKeyBKCRLBRJQDKSJA-YALNPMBYSA-N
MW253.34 g/mol
LogP2.49
Rot. Bonds

About (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene

(1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene (PubChem CID 102266087) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene.

Molecular Properties

Compound Name(1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene
PubChem CID102266087
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene
SMILESC[C@]12c3ccccc3CCN1C[C@H]1C[C@@H]3C=C[C@@]12O3
InChIInChI=1S/C17H19NO/c1-16-15-5-3-2-4-12(15)7-9-18(16)11-13-10-14-6-8-17(13,16)19-14/h2-6,8,13-14H,7,9-11H2,1H3/t13-,14+,16-,17-/m1/s1
InChIKeyBKCRLBRJQDKSJA-YALNPMBYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-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 (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene?
The IUPAC name of (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene (CID 102266087) is (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene.
What is the SMILES notation for (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene?
The canonical SMILES for (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene is C[C@]12c3ccccc3CCN1C[C@H]1C[C@@H]3C=C[C@@]12O3.
What is the InChIKey of (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene?
The InChIKey is BKCRLBRJQDKSJA-YALNPMBYSA-N. The full InChI is InChI=1S/C17H19NO/c1-16-15-5-3-2-4-12(15)7-9-18(16)11-13-10-14-6-8-17(13,16)19-14/h2-6,8,13-14H,7,9-11H2,1H3/t13-,14+,16-,17-/m1/s1.
What are the key properties of (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene?
(1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene has a molecular weight of 253.34 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,13R,15R)-2-methyl-18-oxa-11-azapentacyclo[13.2.1.01,13.02,11.03,8]octadeca-3,5,7,16-tetraene is sourced from PubChem (CID 102266087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).