1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one

C18H20FNOS — CID 70832769

IUPAC1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one
SMILESCc1ccc([C@@H]([C@@H](C)c2ccc(F)cc2)N2CCCC2=O)s1
InChIInChI=1S/C18H20FNOS/c1-12-5-10-16(22-12)18(20-11-3-4-17(20)21)13(2)14-6-8-15(19)9-7-14/h5-10,13,18H,3-4,11H2,1-2H3/t13-,18+/m0/s1
InChIKeyIEMVUMQOYBKPAT-SCLBCKFNSA-N
MW317.43 g/mol
LogP4.66
Rot. Bonds4

About 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one

1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one (PubChem CID 70832769) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one
PubChem CID70832769
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one
SMILESCc1ccc([C@@H]([C@@H](C)c2ccc(F)cc2)N2CCCC2=O)s1
InChIInChI=1S/C18H20FNOS/c1-12-5-10-16(22-12)18(20-11-3-4-17(20)21)13(2)14-6-8-15(19)9-7-14/h5-10,13,18H,3-4,11H2,1-2H3/t13-,18+/m0/s1
InChIKeyIEMVUMQOYBKPAT-SCLBCKFNSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
(3R,3aS,7R,7aS)-3-[4-(1-benzothiophen-2-yl)-2-fluorophenyl]-2-benzyl-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746422
1-benzyl-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 24980824
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methylbutan-1-one
CID 155536757
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 155537352
(3-Phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
(4R,5R)-5-(Fluoro-thiophen-2-yl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44398130
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
Cambridge id 6578772
CID 2187048
[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 2740127
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5344231
2-(4-fluorophenyl)-N-(2-(pyrrolidin-1-yl)-2-(thiophen-3-yl)ethyl)acetamide
CID 16931555

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one (CID 70832769) is 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one is Cc1ccc([C@@H]([C@@H](C)c2ccc(F)cc2)N2CCCC2=O)s1.
What is the InChIKey of 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one?
The InChIKey is IEMVUMQOYBKPAT-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-12-5-10-16(22-12)18(20-11-3-4-17(20)21)13(2)14-6-8-15(19)9-7-14/h5-10,13,18H,3-4,11H2,1-2H3/t13-,18+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one?
1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 70832769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).