1-N'-phenylcyclopropane-1,1-dicarboxamide

C11H12N2O2 — CID 54306644

IUPAC1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C11H12N2O2/c12-9(14)11(6-7-11)10(15)13-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,14)(H,13,15)
InChIKeySHZKNYAJLNKSTP-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.89
Rot. Bonds3

About 1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 54306644) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID54306644
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C11H12N2O2/c12-9(14)11(6-7-11)10(15)13-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,14)(H,13,15)
InChIKeySHZKNYAJLNKSTP-UHFFFAOYSA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 54306644) is 1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-phenylcyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is SHZKNYAJLNKSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-9(14)11(6-7-11)10(15)13-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,14)(H,13,15).
What are the key properties of 1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 54306644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).