[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone

C15H13NO — CID 1471621

IUPAC[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H13NO/c17-15(14-8-4-5-9-16-14)13-10-12(13)11-6-2-1-3-7-11/h1-9,12-13H,10H2/t12-,13-/m1/s1
InChIKeyXCYVNFLTONVXSP-CHWSQXEVSA-N
MW223.28 g/mol
LogP3.07
Rot. Bonds3

About [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone

[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone (PubChem CID 1471621) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
PubChem CID1471621
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H13NO/c17-15(14-8-4-5-9-16-14)13-10-12(13)11-6-2-1-3-7-11/h1-9,12-13H,10H2/t12-,13-/m1/s1
InChIKeyXCYVNFLTONVXSP-CHWSQXEVSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone
CID 40542856
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(2-phenylcyclopropyl)-quinolin-8-ylmethanone
CID 115790655
(1-methylpyrazol-3-yl)-(2-phenylcyclopropyl)methanone
CID 116517051
(6-methoxypyridazin-3-yl)-(2-phenylcyclopropyl)methanone
CID 103373167
[(1R,2R,3R,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003806
[(1S,2S,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003805
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
(3-aminocyclobutyl)-pyridin-2-ylmethanone
CID 116917775
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 10955833
[(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 102440258

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone?
The IUPAC name of [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone (CID 1471621) is [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone?
The InChIKey is XCYVNFLTONVXSP-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H13NO/c17-15(14-8-4-5-9-16-14)13-10-12(13)11-6-2-1-3-7-11/h1-9,12-13H,10H2/t12-,13-/m1/s1.
What are the key properties of [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone?
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone has a molecular weight of 223.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 1471621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).