(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one

C15H22N2O2 — CID 15385686

IUPAC(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
SMILESO=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@](O)(CN12)[C@@H]34
InChIInChI=1S/C15H22N2O2/c18-13-6-1-5-12-11-4-2-8-16-9-3-7-15(19,14(11)16)10-17(12)13/h1,6,11-12,14,19H,2-5,7-10H2/t11-,12-,14-,15-/m1/s1
InChIKeyRWGCPRXNEWRKMS-QHSBEEBCSA-N
MW262.35 g/mol
LogP0.76
Rot. Bonds

About (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one

(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one (PubChem CID 15385686) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one.

Molecular Properties

Compound Name(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
PubChem CID15385686
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
SMILESO=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@](O)(CN12)[C@@H]34
InChIInChI=1S/C15H22N2O2/c18-13-6-1-5-12-11-4-2-8-16-9-3-7-15(19,14(11)16)10-17(12)13/h1,6,11-12,14,19H,2-5,7-10H2/t11-,12-,14-,15-/m1/s1
InChIKeyRWGCPRXNEWRKMS-QHSBEEBCSA-N
XLogP0.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one?
The IUPAC name of (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one (CID 15385686) is (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one.
What is the SMILES notation for (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one?
The canonical SMILES for (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one is O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@](O)(CN12)[C@@H]34.
What is the InChIKey of (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one?
The InChIKey is RWGCPRXNEWRKMS-QHSBEEBCSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-13-6-1-5-12-11-4-2-8-16-9-3-7-15(19,14(11)16)10-17(12)13/h1,6,11-12,14,19H,2-5,7-10H2/t11-,12-,14-,15-/m1/s1.
What are the key properties of (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one?
(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one has a molecular weight of 262.35 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one is sourced from PubChem (CID 15385686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).