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

C15H24N2O2 — CID 53324124

IUPAC(1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESO=C1CC(O)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34
InChIInChI=1S/C15H24N2O2/c18-11-7-13-12-4-2-6-16-5-1-3-10(15(12)16)9-17(13)14(19)8-11/h10-13,15,18H,1-9H2/t10-,11?,12+,13+,15-/m0/s1
InChIKeyYYLKMMPLIIOMLQ-UQAYIZHWSA-N
MW264.37 g/mol
LogP0.84
Rot. Bonds

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

(1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (PubChem CID 53324124) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.

Molecular Properties

Compound Name(1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
PubChem CID53324124
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESO=C1CC(O)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34
InChIInChI=1S/C15H24N2O2/c18-11-7-13-12-4-2-6-16-5-1-3-10(15(12)16)9-17(13)14(19)8-11/h10-13,15,18H,1-9H2/t10-,11?,12+,13+,15-/m0/s1
InChIKeyYYLKMMPLIIOMLQ-UQAYIZHWSA-N
XLogP0.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The IUPAC name of (1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (CID 53324124) is (1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.
What is the SMILES notation for (1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The canonical SMILES for (1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is O=C1CC(O)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34.
What is the InChIKey of (1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The InChIKey is YYLKMMPLIIOMLQ-UQAYIZHWSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-11-7-13-12-4-2-6-16-5-1-3-10(15(12)16)9-17(13)14(19)8-11/h10-13,15,18H,1-9H2/t10-,11?,12+,13+,15-/m0/s1.
What are the key properties of (1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
(1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one has a molecular weight of 264.37 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9S,17S)-4-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is sourced from PubChem (CID 53324124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).