1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one

C11H15N3O2 — CID 102203014

IUPAC1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one
SMILESCCC1(C)OC(=O)c2c1ccnc2NNC
InChIInChI=1S/C11H15N3O2/c1-4-11(2)7-5-6-13-9(14-12-3)8(7)10(15)16-11/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyDWOPXHLTPKUDQH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.42
Rot. Bonds3

About 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one

1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one (PubChem CID 102203014) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one
PubChem CID102203014
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one
SMILESCCC1(C)OC(=O)c2c1ccnc2NNC
InChIInChI=1S/C11H15N3O2/c1-4-11(2)7-5-6-13-9(14-12-3)8(7)10(15)16-11/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyDWOPXHLTPKUDQH-UHFFFAOYSA-N
XLogP1.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one?
The IUPAC name of 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one (CID 102203014) is 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one is CCC1(C)OC(=O)c2c1ccnc2NNC.
What is the InChIKey of 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one?
The InChIKey is DWOPXHLTPKUDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-11(2)7-5-6-13-9(14-12-3)8(7)10(15)16-11/h5-6,12H,4H2,1-3H3,(H,13,14).
What are the key properties of 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one?
1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one has a molecular weight of 221.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-4-(2-methylhydrazinyl)furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 102203014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).