1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone

C14H15NO — CID 13434260

IUPAC1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone
SMILESC=C=C1CCN(C(C)=O)C1c1ccccc1
InChIInChI=1S/C14H15NO/c1-3-12-9-10-15(11(2)16)14(12)13-7-5-4-6-8-13/h4-8,14H,1,9-10H2,2H3
InChIKeyQPFRUGWYYOMPOZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.69
Rot. Bonds1

About 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone

1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone (PubChem CID 13434260) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone
PubChem CID13434260
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone
SMILESC=C=C1CCN(C(C)=O)C1c1ccccc1
InChIInChI=1S/C14H15NO/c1-3-12-9-10-15(11(2)16)14(12)13-7-5-4-6-8-13/h4-8,14H,1,9-10H2,2H3
InChIKeyQPFRUGWYYOMPOZ-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
1-benzoyl-2-phenylpyrrolidin-3-one
CID 571274
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936
1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 164972542
tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
CID 11414318
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one
CID 15324559
(3R)-1-acetyl-3-phenylpyrrolidin-2-one
CID 6991154
(2R)-2-[[(1S)-2-acetyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enylbutanamide
CID 93335677
(2R)-2-[[(1R)-2-acetyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-prop-2-enylbutanamide
CID 93335679

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone (CID 13434260) is 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone is C=C=C1CCN(C(C)=O)C1c1ccccc1.
What is the InChIKey of 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is QPFRUGWYYOMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-12-9-10-15(11(2)16)14(12)13-7-5-4-6-8-13/h4-8,14H,1,9-10H2,2H3.
What are the key properties of 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone?
1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 213.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenylidene-2-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 13434260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).