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

C15H24N2O2 — CID 162917093

IUPAC(1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESO=C1CCC[C@@]2(O)[C@@H]3CCCN4CCC[C@H](CN12)[C@H]34
InChIInChI=1S/C15H24N2O2/c18-13-6-1-7-15(19)12-5-3-9-16-8-2-4-11(14(12)16)10-17(13)15/h11-12,14,19H,1-10H2/t11-,12-,14-,15-/m1/s1
InChIKeyJILDNWQNBXJLKN-QHSBEEBCSA-N
MW264.37 g/mol
LogP1.19
Rot. Bonds

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

(1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (PubChem CID 162917093) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.

Molecular Properties

Compound Name(1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
PubChem CID162917093
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESO=C1CCC[C@@]2(O)[C@@H]3CCCN4CCC[C@H](CN12)[C@H]34
InChIInChI=1S/C15H24N2O2/c18-13-6-1-7-15(19)12-5-3-9-16-8-2-4-11(14(12)16)10-17(13)15/h11-12,14,19H,1-10H2/t11-,12-,14-,15-/m1/s1
InChIKeyJILDNWQNBXJLKN-QHSBEEBCSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1R,2S,9S,17R)-2-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 170061000
(1R,2R,9R,10R)-2-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 162939756
(2R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 5271983
(1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 6350977
(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002230
(1S,2R,9S,10R)-2-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 15432956
(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
CID 6551054
(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
CID 70679860
(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
CID 134844763
(1S,2S,3R,9R,17S)-3-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
CID 5318250
(8S,8aR)-8-(hydroxymethyl)-3-oxo-1,2,5,6,7,8-hexahydroindolizine-8a-carbonitrile
CID 15480603
(1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
CID 71729277

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The IUPAC name of (1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (CID 162917093) is (1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.
What is the SMILES notation for (1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The canonical SMILES for (1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is O=C1CCC[C@@]2(O)[C@@H]3CCCN4CCC[C@H](CN12)[C@H]34.
What is the InChIKey of (1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The InChIKey is JILDNWQNBXJLKN-QHSBEEBCSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-13-6-1-7-15(19)12-5-3-9-16-8-2-4-11(14(12)16)10-17(13)15/h11-12,14,19H,1-10H2/t11-,12-,14-,15-/m1/s1.
What are the key properties of (1R,2R,9R,17R)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
(1R,2R,9R,17R)-2-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 1.19, 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)-2-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is sourced from PubChem (CID 162917093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).