(1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol

C17H21NO2 — CID 70232704

IUPAC(1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
SMILESC=C1CCC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]12CCN3
InChIInChI=1S/C17H21NO2/c1-11-3-2-6-17(20)15-9-12-4-5-13(19)10-14(12)16(11,17)7-8-18-15/h4-5,10,15,18-20H,1-3,6-9H2/t15-,16-,17-/m1/s1
InChIKeyORKKNMLMAAVZJK-BRWVUGGUSA-N
MW271.36 g/mol
LogP2.02
Rot. Bonds

About (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol

(1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol (PubChem CID 70232704) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol.

Molecular Properties

Compound Name(1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
PubChem CID70232704
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
SMILESC=C1CCC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]12CCN3
InChIInChI=1S/C17H21NO2/c1-11-3-2-6-17(20)15-9-12-4-5-13(19)10-14(12)16(11,17)7-8-18-15/h4-5,10,15,18-20H,1-3,6-9H2/t15-,16-,17-/m1/s1
InChIKeyORKKNMLMAAVZJK-BRWVUGGUSA-N
XLogP2.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol 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,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol?
The IUPAC name of (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol (CID 70232704) is (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol.
What is the SMILES notation for (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol?
The canonical SMILES for (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol is C=C1CCC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]12CCN3.
What is the InChIKey of (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol?
The InChIKey is ORKKNMLMAAVZJK-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-3-2-6-17(20)15-9-12-4-5-13(19)10-14(12)16(11,17)7-8-18-15/h4-5,10,15,18-20H,1-3,6-9H2/t15-,16-,17-/m1/s1.
What are the key properties of (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol?
(1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol has a molecular weight of 271.36 g/mol, XLogP of 2.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10S)-14-methylidene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol is sourced from PubChem (CID 70232704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).