4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one

C14H21NOS — CID 51948019

IUPAC4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C14H21NOS/c1-11(2)5-6-14(16)15-8-3-4-13(15)12-7-9-17-10-12/h7,9-11,13H,3-6,8H2,1-2H3/t13-/m1/s1
InChIKeyBHZZIRCMCKWUHI-CYBMUJFWSA-N
MW251.39 g/mol
LogP3.85
Rot. Bonds4

About 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one

4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one (PubChem CID 51948019) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
PubChem CID51948019
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C14H21NOS/c1-11(2)5-6-14(16)15-8-3-4-13(15)12-7-9-17-10-12/h7,9-11,13H,3-6,8H2,1-2H3/t13-/m1/s1
InChIKeyBHZZIRCMCKWUHI-CYBMUJFWSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
2-methyl-4-oxo-2-propan-2-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butanoic acid
CID 60948810
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
CID 94117741
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 81086710
N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 47036904
2-(aminomethyl)-3-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)butan-1-one
CID 65227787
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 97311685
[2-oxo-2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl] 2-amino-5-propan-2-ylbenzoate
CID 71938054

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one (CID 51948019) is 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one is CC(C)CCC(=O)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one?
The InChIKey is BHZZIRCMCKWUHI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(2)5-6-14(16)15-8-3-4-13(15)12-7-9-17-10-12/h7,9-11,13H,3-6,8H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one?
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one has a molecular weight of 251.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 51948019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).