(1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol

C17H21NO2 — CID 162977979

IUPAC(1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol
SMILESCO[C@H]1C=C2CCN3CCc4ccc(O)cc4[C@@H](C1)[C@@H]23
InChIInChI=1S/C17H21NO2/c1-20-14-8-12-5-7-18-6-4-11-2-3-13(19)9-15(11)16(10-14)17(12)18/h2-3,8-9,14,16-17,19H,4-7,10H2,1H3/t14-,16+,17+/m0/s1
InChIKeyUIMPDKMBSQVICT-USXIJHARSA-N
MW271.36 g/mol
LogP2.45
Rot. Bonds1

About (1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol

(1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol (PubChem CID 162977979) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol.

Molecular Properties

Compound Name(1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol
PubChem CID162977979
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol
SMILESCO[C@H]1C=C2CCN3CCc4ccc(O)cc4[C@@H](C1)[C@@H]23
InChIInChI=1S/C17H21NO2/c1-20-14-8-12-5-7-18-6-4-11-2-3-13(19)9-15(11)16(10-14)17(12)18/h2-3,8-9,14,16-17,19H,4-7,10H2,1H3/t14-,16+,17+/m0/s1
InChIKeyUIMPDKMBSQVICT-USXIJHARSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.45
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,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol?
The IUPAC name of (1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol (CID 162977979) is (1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol.
What is the SMILES notation for (1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol?
The canonical SMILES for (1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol is CO[C@H]1C=C2CCN3CCc4ccc(O)cc4[C@@H](C1)[C@@H]23.
What is the InChIKey of (1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol?
The InChIKey is UIMPDKMBSQVICT-USXIJHARSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-14-8-12-5-7-18-6-4-11-2-3-13(19)9-15(11)16(10-14)17(12)18/h2-3,8-9,14,16-17,19H,4-7,10H2,1H3/t14-,16+,17+/m0/s1.
What are the key properties of (1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol?
(1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol has a molecular weight of 271.36 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol is sourced from PubChem (CID 162977979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).