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

C13H17N3O2 — CID 10214595

IUPAC(10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCOn1c(=O)n2c3c(cccc31)C[C@@H](N(C)C)C2
InChIInChI=1S/C13H17N3O2/c1-14(2)10-7-9-5-4-6-11-12(9)15(8-10)13(17)16(11)18-3/h4-6,10H,7-8H2,1-3H3/t10-/m1/s1
InChIKeyHGLXHPLTCYBZPF-SNVBAGLBSA-N
MW247.30 g/mol
LogP0.35
Rot. Bonds2

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

(10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 10214595) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name(10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID10214595
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCOn1c(=O)n2c3c(cccc31)C[C@@H](N(C)C)C2
InChIInChI=1S/C13H17N3O2/c1-14(2)10-7-9-5-4-6-11-12(9)15(8-10)13(17)16(11)18-3/h4-6,10H,7-8H2,1-3H3/t10-/m1/s1
InChIKeyHGLXHPLTCYBZPF-SNVBAGLBSA-N
XLogP0.35
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of (10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 10214595) is (10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for (10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for (10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is COn1c(=O)n2c3c(cccc31)C[C@@H](N(C)C)C2.
What is the InChIKey of (10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is HGLXHPLTCYBZPF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14(2)10-7-9-5-4-6-11-12(9)15(8-10)13(17)16(11)18-3/h4-6,10H,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
(10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(dimethylamino)-3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 10214595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).