(1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one

C11H17NO3 — CID 102286951

IUPAC(1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one
SMILESO=C1CC[C@]23CC[C@H](O)[C@H](C2)[C@@H](O)CN13
InChIInChI=1S/C11H17NO3/c13-8-1-3-11-4-2-10(15)12(11)6-9(14)7(8)5-11/h7-9,13-14H,1-6H2/t7-,8-,9-,11+/m0/s1
InChIKeyXBNRREHLLQWGHP-FTYOSLGDSA-N
MW211.26 g/mol
LogP-0.12
Rot. Bonds

About (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one

(1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one (PubChem CID 102286951) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one.

Molecular Properties

Compound Name(1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one
PubChem CID102286951
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one
SMILESO=C1CC[C@]23CC[C@H](O)[C@H](C2)[C@@H](O)CN13
InChIInChI=1S/C11H17NO3/c13-8-1-3-11-4-2-10(15)12(11)6-9(14)7(8)5-11/h7-9,13-14H,1-6H2/t7-,8-,9-,11+/m0/s1
InChIKeyXBNRREHLLQWGHP-FTYOSLGDSA-N
XLogP-0.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one?
The IUPAC name of (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one (CID 102286951) is (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one.
What is the SMILES notation for (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one?
The canonical SMILES for (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one is O=C1CC[C@]23CC[C@H](O)[C@H](C2)[C@@H](O)CN13.
What is the InChIKey of (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one?
The InChIKey is XBNRREHLLQWGHP-FTYOSLGDSA-N. The full InChI is InChI=1S/C11H17NO3/c13-8-1-3-11-4-2-10(15)12(11)6-9(14)7(8)5-11/h7-9,13-14H,1-6H2/t7-,8-,9-,11+/m0/s1.
What are the key properties of (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one?
(1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one is sourced from PubChem (CID 102286951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).