1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one

C20H23NO2 — CID 25198299

IUPAC1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one
SMILESO=C(CCCc1ccc(-c2ccccc2)cc1)N1CCCC1O
InChIInChI=1S/C20H23NO2/c22-19(21-15-5-10-20(21)23)9-4-6-16-11-13-18(14-12-16)17-7-2-1-3-8-17/h1-3,7-8,11-14,20,23H,4-6,9-10,15H2
InChIKeySNLKFHLNRQMEGM-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.62
Rot. Bonds5

About 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one

1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one (PubChem CID 25198299) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one
PubChem CID25198299
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one
SMILESO=C(CCCc1ccc(-c2ccccc2)cc1)N1CCCC1O
InChIInChI=1S/C20H23NO2/c22-19(21-15-5-10-20(21)23)9-4-6-16-11-13-18(14-12-16)17-7-2-1-3-8-17/h1-3,7-8,11-14,20,23H,4-6,9-10,15H2
InChIKeySNLKFHLNRQMEGM-UHFFFAOYSA-N
XLogP3.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
3-[(2S)-1-(4-phenylbutanoyl)pyrrolidin-2-yl]prop-2-enoic acid
CID 70414629
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
4-phenyl-1-[2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 15080758
methyl (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 14013749
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 86951408
1-[(4aR,8aS)-6-acetyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-4-phenylbutan-1-one
CID 56856589
1-[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-5-phenylpentan-1-one
CID 90587464
formyl 1-(6-phenylhexanoyl)pyrrolidine-2-carboxylate
CID 118553508
1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 91888653

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one?
The IUPAC name of 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one (CID 25198299) is 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one.
What is the SMILES notation for 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one?
The canonical SMILES for 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one is O=C(CCCc1ccc(-c2ccccc2)cc1)N1CCCC1O.
What is the InChIKey of 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one?
The InChIKey is SNLKFHLNRQMEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-19(21-15-5-10-20(21)23)9-4-6-16-11-13-18(14-12-16)17-7-2-1-3-8-17/h1-3,7-8,11-14,20,23H,4-6,9-10,15H2.
What are the key properties of 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one?
1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one is sourced from PubChem (CID 25198299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).