2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide

C11H14N2O2 — CID 141245355

IUPAC2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide
SMILESCc1cc2c(c(NC(=O)C(C)(C)C)n1)O2
InChIInChI=1S/C11H14N2O2/c1-6-5-7-8(15-7)9(12-6)13-10(14)11(2,3)4/h5H,1-4H3,(H,12,13,14)
InChIKeyUADOOANDGJUMKM-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.48
Rot. Bonds1

About 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide

2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide (PubChem CID 141245355) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide
PubChem CID141245355
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide
SMILESCc1cc2c(c(NC(=O)C(C)(C)C)n1)O2
InChIInChI=1S/C11H14N2O2/c1-6-5-7-8(15-7)9(12-6)13-10(14)11(2,3)4/h5H,1-4H3,(H,12,13,14)
InChIKeyUADOOANDGJUMKM-UHFFFAOYSA-N
XLogP2.48
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide 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 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide (CID 141245355) is 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide is Cc1cc2c(c(NC(=O)C(C)(C)C)n1)O2.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide?
The InChIKey is UADOOANDGJUMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-6-5-7-8(15-7)9(12-6)13-10(14)11(2,3)4/h5H,1-4H3,(H,12,13,14).
What are the key properties of 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide?
2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide has a molecular weight of 206.24 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide is sourced from PubChem (CID 141245355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).