(1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

C10H12N2O2 — CID 102034065

IUPAC(1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
SMILESO=c1c(O)ccc2n1C[C@H]1CN[C@@H]2C1
InChIInChI=1S/C10H12N2O2/c13-9-2-1-8-7-3-6(4-11-7)5-12(8)10(9)14/h1-2,6-7,11,13H,3-5H2/t6-,7-/m1/s1
InChIKeyAFTDVOKQJZAVLI-RNFRBKRXSA-N
MW192.22 g/mol
LogP0.22
Rot. Bonds

About (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

(1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one (PubChem CID 102034065) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one.

Molecular Properties

Compound Name(1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
PubChem CID102034065
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
SMILESO=c1c(O)ccc2n1C[C@H]1CN[C@@H]2C1
InChIInChI=1S/C10H12N2O2/c13-9-2-1-8-7-3-6(4-11-7)5-12(8)10(9)14/h1-2,6-7,11,13H,3-5H2/t6-,7-/m1/s1
InChIKeyAFTDVOKQJZAVLI-RNFRBKRXSA-N
XLogP0.22
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one with MolForge

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Related Compounds

(1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
CID 102034066
(1R,9S)-5-methoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 101094755
5-(hydroxymethyl)-11-phosphanyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 21363476
2-azabicyclo[2.2.1]heptan-6-one
CID 58165401
3,3-dimethyl-N-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]butanamide
CID 11884467
5-acetyl-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 68572453
(1R,9S)-11-acetyl-5-amino-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 7673874
5-(1-hydroxyethenyl)-11-phosphanyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 21363479
4-tert-butyl-N-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
CID 11884471
(1R,9S)-3-hydroxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;5-hydroxy-1H-pyrimidine-2,4-dione
CID 118864086
5-(7-azabicyclo[2.2.1]heptan-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 91500238
11-phosphanyl-5-prop-1-en-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 21363480

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one?
The IUPAC name of (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one (CID 102034065) is (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one.
What is the SMILES notation for (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one?
The canonical SMILES for (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one is O=c1c(O)ccc2n1C[C@H]1CN[C@@H]2C1.
What is the InChIKey of (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one?
The InChIKey is AFTDVOKQJZAVLI-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-9-2-1-8-7-3-6(4-11-7)5-12(8)10(9)14/h1-2,6-7,11,13H,3-5H2/t6-,7-/m1/s1.
What are the key properties of (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one?
(1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one has a molecular weight of 192.22 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one is sourced from PubChem (CID 102034065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).