4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one

C14H19NO — CID 70184380

IUPAC4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
SMILESO=C(CCc1ccccc1)C[C@@H]1CCCN1
InChIInChI=1S/C14H19NO/c16-14(11-13-7-4-10-15-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-/m0/s1
InChIKeyLMJOHRPNXXFUQM-ZDUSSCGKSA-N
MW217.31 g/mol
LogP2.33
Rot. Bonds5

About 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one

4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one (PubChem CID 70184380) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one.

Molecular Properties

Compound Name4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
PubChem CID70184380
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
SMILESO=C(CCc1ccccc1)C[C@@H]1CCCN1
InChIInChI=1S/C14H19NO/c16-14(11-13-7-4-10-15-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-/m0/s1
InChIKeyLMJOHRPNXXFUQM-ZDUSSCGKSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
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1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698792
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560826
1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560927
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
5-phenyl-1-thiomorpholin-3-ylpentan-2-one
CID 116586489

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one?
The IUPAC name of 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one (CID 70184380) is 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one.
What is the SMILES notation for 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one?
The canonical SMILES for 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one is O=C(CCc1ccccc1)C[C@@H]1CCCN1.
What is the InChIKey of 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one?
The InChIKey is LMJOHRPNXXFUQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO/c16-14(11-13-7-4-10-15-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-/m0/s1.
What are the key properties of 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one?
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one is sourced from PubChem (CID 70184380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).