2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide

C7H10N2O2 — CID 154151854

IUPAC2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide
SMILESCC1=C(C)C1(C(N)=O)C(N)=O
InChIInChI=1S/C7H10N2O2/c1-3-4(2)7(3,5(8)10)6(9)11/h1-2H3,(H2,8,10)(H2,9,11)
InChIKeyMADHCELIHCVTCF-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.71
Rot. Bonds2

About 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide

2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide (PubChem CID 154151854) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide.

Molecular Properties

Compound Name2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide
PubChem CID154151854
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide
SMILESCC1=C(C)C1(C(N)=O)C(N)=O
InChIInChI=1S/C7H10N2O2/c1-3-4(2)7(3,5(8)10)6(9)11/h1-2H3,(H2,8,10)(H2,9,11)
InChIKeyMADHCELIHCVTCF-UHFFFAOYSA-N
XLogP-0.71
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide 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 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide?
The IUPAC name of 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide (CID 154151854) is 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide.
What is the SMILES notation for 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide?
The canonical SMILES for 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide is CC1=C(C)C1(C(N)=O)C(N)=O.
What is the InChIKey of 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide?
The InChIKey is MADHCELIHCVTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-4(2)7(3,5(8)10)6(9)11/h1-2H3,(H2,8,10)(H2,9,11).
What are the key properties of 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide?
2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcycloprop-2-ene-1,1-dicarboxamide is sourced from PubChem (CID 154151854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).