2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one

C13H13NO — CID 126482517

IUPAC2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one
SMILESO=c1c(-c2ccccc2)c1C1CCCN1
InChIInChI=1S/C13H13NO/c15-13-11(9-5-2-1-3-6-9)12(13)10-7-4-8-14-10/h1-3,5-6,10,14H,4,7-8H2
InChIKeyDYEUHPJFVVYKOD-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.01
Rot. Bonds2

About 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one

2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one (PubChem CID 126482517) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one.

Molecular Properties

Compound Name2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one
PubChem CID126482517
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one
SMILESO=c1c(-c2ccccc2)c1C1CCCN1
InChIInChI=1S/C13H13NO/c15-13-11(9-5-2-1-3-6-9)12(13)10-7-4-8-14-10/h1-3,5-6,10,14H,4,7-8H2
InChIKeyDYEUHPJFVVYKOD-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10997356
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
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2-(2-ethyl-6-fluorophenyl)pyrrolidine
CID 55295804
3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
CID 10242348
2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217
2-(5-phenyl-1H-pyrrol-2-yl)piperidine
CID 141234725
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
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CID 66519680

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one?
The IUPAC name of 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one (CID 126482517) is 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one.
What is the SMILES notation for 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one?
The canonical SMILES for 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one is O=c1c(-c2ccccc2)c1C1CCCN1.
What is the InChIKey of 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one?
The InChIKey is DYEUHPJFVVYKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-13-11(9-5-2-1-3-6-9)12(13)10-7-4-8-14-10/h1-3,5-6,10,14H,4,7-8H2.
What are the key properties of 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one?
2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one has a molecular weight of 199.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one is sourced from PubChem (CID 126482517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).