2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide

C13H15NO — CID 68745238

IUPAC2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1C[C@@H]1C1CC1
InChIInChI=1S/C13H15NO/c14-13(15)10-4-2-1-3-9(10)12-7-11(12)8-5-6-8/h1-4,8,11-12H,5-7H2,(H2,14,15)/t11-,12+/m1/s1
InChIKeySDQGDFDZEPDYHE-NEPJUHHUSA-N
MW201.27 g/mol
LogP2.30
Rot. Bonds3

About 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide

2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide (PubChem CID 68745238) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide.

Molecular Properties

Compound Name2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide
PubChem CID68745238
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1C[C@@H]1C1CC1
InChIInChI=1S/C13H15NO/c14-13(15)10-4-2-1-3-9(10)12-7-11(12)8-5-6-8/h1-4,8,11-12H,5-7H2,(H2,14,15)/t11-,12+/m1/s1
InChIKeySDQGDFDZEPDYHE-NEPJUHHUSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide?
The IUPAC name of 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide (CID 68745238) is 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide.
What is the SMILES notation for 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide?
The canonical SMILES for 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide is NC(=O)c1ccccc1[C@@H]1C[C@@H]1C1CC1.
What is the InChIKey of 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide?
The InChIKey is SDQGDFDZEPDYHE-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H15NO/c14-13(15)10-4-2-1-3-9(10)12-7-11(12)8-5-6-8/h1-4,8,11-12H,5-7H2,(H2,14,15)/t11-,12+/m1/s1.
What are the key properties of 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide?
2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide has a molecular weight of 201.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-cyclopropylcyclopropyl]benzamide is sourced from PubChem (CID 68745238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).