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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Related Compounds

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2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide
CID 175757308
2-(2-aminocyclohexyl)benzamide;(Z)-but-2-enedioic acid
CID 70422160
2-(8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 68749211
2-(3-sulfanylcyclohexyl)benzamide
CID 166057237
2-(1-aminopiperidin-4-yl)benzamide
CID 174916154
3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one
CID 68788843
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712075
3-(3-bicyclo[3.2.1]octanyl)-2-hydroxybenzamide
CID 87551117

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).