2-cyclopropyl-2-(3-formylphenyl)acetamide

C12H13NO2 — CID 90105867

IUPAC2-cyclopropyl-2-(3-formylphenyl)acetamide
SMILESNC(=O)C(c1cccc(C=O)c1)C1CC1
InChIInChI=1S/C12H13NO2/c13-12(15)11(9-4-5-9)10-3-1-2-8(6-10)7-14/h1-3,6-7,9,11H,4-5H2,(H2,13,15)
InChIKeyGLUYRCVKCAEANL-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.48
Rot. Bonds4

About 2-cyclopropyl-2-(3-formylphenyl)acetamide

2-cyclopropyl-2-(3-formylphenyl)acetamide (PubChem CID 90105867) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-formylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-formylphenyl)acetamide
PubChem CID90105867
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-cyclopropyl-2-(3-formylphenyl)acetamide
SMILESNC(=O)C(c1cccc(C=O)c1)C1CC1
InChIInChI=1S/C12H13NO2/c13-12(15)11(9-4-5-9)10-3-1-2-8(6-10)7-14/h1-3,6-7,9,11H,4-5H2,(H2,13,15)
InChIKeyGLUYRCVKCAEANL-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-formylphenyl)acetamide?
The IUPAC name of 2-cyclopropyl-2-(3-formylphenyl)acetamide (CID 90105867) is 2-cyclopropyl-2-(3-formylphenyl)acetamide.
What is the SMILES notation for 2-cyclopropyl-2-(3-formylphenyl)acetamide?
The canonical SMILES for 2-cyclopropyl-2-(3-formylphenyl)acetamide is NC(=O)C(c1cccc(C=O)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-formylphenyl)acetamide?
The InChIKey is GLUYRCVKCAEANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-12(15)11(9-4-5-9)10-3-1-2-8(6-10)7-14/h1-3,6-7,9,11H,4-5H2,(H2,13,15).
What are the key properties of 2-cyclopropyl-2-(3-formylphenyl)acetamide?
2-cyclopropyl-2-(3-formylphenyl)acetamide has a molecular weight of 203.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-formylphenyl)acetamide is sourced from PubChem (CID 90105867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).