4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one

C9H10N2O2 — CID 55295877

IUPAC4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one
SMILESCC1(C)OC(=O)c2c1ccnc2N
InChIInChI=1S/C9H10N2O2/c1-9(2)5-3-4-11-7(10)6(5)8(12)13-9/h3-4H,1-2H3,(H2,10,11)
InChIKeyBOUMCQBREOWUEE-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.07
Rot. Bonds

About 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one

4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one (PubChem CID 55295877) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one
PubChem CID55295877
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one
SMILESCC1(C)OC(=O)c2c1ccnc2N
InChIInChI=1S/C9H10N2O2/c1-9(2)5-3-4-11-7(10)6(5)8(12)13-9/h3-4H,1-2H3,(H2,10,11)
InChIKeyBOUMCQBREOWUEE-UHFFFAOYSA-N
XLogP1.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one?
The IUPAC name of 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one (CID 55295877) is 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one?
The canonical SMILES for 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one is CC1(C)OC(=O)c2c1ccnc2N.
What is the InChIKey of 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one?
The InChIKey is BOUMCQBREOWUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-9(2)5-3-4-11-7(10)6(5)8(12)13-9/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one?
4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one has a molecular weight of 178.19 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1-dimethylfuro[3,4-c]pyridin-3-one is sourced from PubChem (CID 55295877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).