phenyl-[(3R)-pyrrolidin-3-yl]methanone

C11H13NO — CID 86327261

IUPACphenyl-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C11H13NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1
InChIKeyYLBMMUDQGTXXKP-SNVBAGLBSA-N
MW175.23 g/mol
LogP1.48
Rot. Bonds2

About phenyl-[(3R)-pyrrolidin-3-yl]methanone

phenyl-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 86327261) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is phenyl-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID86327261
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namephenyl-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C11H13NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1
InChIKeyYLBMMUDQGTXXKP-SNVBAGLBSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pyrrolidine-3-carbonyl)benzoic acid
CID 105473765
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
pyrrolidin-3-yl(quinolin-3-yl)methanone
CID 116568242
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
furan-3-yl(pyrrolidin-3-yl)methanone
CID 116568441
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
phenyl (3S)-pyrrolidine-3-carboxylate
CID 130688527

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of phenyl-[(3R)-pyrrolidin-3-yl]methanone (CID 86327261) is phenyl-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for phenyl-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for phenyl-[(3R)-pyrrolidin-3-yl]methanone is O=C(c1ccccc1)[C@@H]1CCNC1.
What is the InChIKey of phenyl-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is YLBMMUDQGTXXKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-/m1/s1.
What are the key properties of phenyl-[(3R)-pyrrolidin-3-yl]methanone?
phenyl-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 175.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 86327261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).