2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one

C11H10N2O2 — CID 67903883

IUPAC2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one
SMILESO=C1CCn2c(CO)nc3cccc1c32
InChIInChI=1S/C11H10N2O2/c14-6-10-12-8-3-1-2-7-9(15)4-5-13(10)11(7)8/h1-3,14H,4-6H2
InChIKeyIPQBUYUHSDUHPD-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.12
Rot. Bonds1

About 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one

2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one (PubChem CID 67903883) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one
PubChem CID67903883
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one
SMILESO=C1CCn2c(CO)nc3cccc1c32
InChIInChI=1S/C11H10N2O2/c14-6-10-12-8-3-1-2-7-9(15)4-5-13(10)11(7)8/h1-3,14H,4-6H2
InChIKeyIPQBUYUHSDUHPD-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one?
The IUPAC name of 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one (CID 67903883) is 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one.
What is the SMILES notation for 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one?
The canonical SMILES for 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one is O=C1CCn2c(CO)nc3cccc1c32.
What is the InChIKey of 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one?
The InChIKey is IPQBUYUHSDUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-6-10-12-8-3-1-2-7-9(15)4-5-13(10)11(7)8/h1-3,14H,4-6H2.
What are the key properties of 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one?
2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one has a molecular weight of 202.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one is sourced from PubChem (CID 67903883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).