(10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C11H13N3O2 — CID 67557811

IUPAC(10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCNC1c2cccc3[nH]c(=O)n(c23)C[C@H]1O
InChIInChI=1S/C11H13N3O2/c1-12-9-6-3-2-4-7-10(6)14(5-8(9)15)11(16)13-7/h2-4,8-9,12,15H,5H2,1H3,(H,13,16)/t8-,9?/m1/s1
InChIKeyLGCAOVHIKIFUKX-VEDVMXKPSA-N
MW219.24 g/mol
LogP-0.04
Rot. Bonds1

About (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

(10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 67557811) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name(10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID67557811
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCNC1c2cccc3[nH]c(=O)n(c23)C[C@H]1O
InChIInChI=1S/C11H13N3O2/c1-12-9-6-3-2-4-7-10(6)14(5-8(9)15)11(16)13-7/h2-4,8-9,12,15H,5H2,1H3,(H,13,16)/t8-,9?/m1/s1
InChIKeyLGCAOVHIKIFUKX-VEDVMXKPSA-N
XLogP-0.04
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 67557811) is (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is CNC1c2cccc3[nH]c(=O)n(c23)C[C@H]1O.
What is the InChIKey of (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is LGCAOVHIKIFUKX-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-9-6-3-2-4-7-10(6)14(5-8(9)15)11(16)13-7/h2-4,8-9,12,15H,5H2,1H3,(H,13,16)/t8-,9?/m1/s1.
What are the key properties of (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
(10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 219.24 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-hydroxy-9-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 67557811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).