2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one

C13H19NOS — CID 71721462

IUPAC2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one
SMILESCCCC(C(=O)c1cccs1)N1CCCC1
InChIInChI=1S/C13H19NOS/c1-2-6-11(14-8-3-4-9-14)13(15)12-7-5-10-16-12/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyOOSRPGUQJAKBLV-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.20
Rot. Bonds5

About 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one

2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one (PubChem CID 71721462) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one
PubChem CID71721462
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one
SMILESCCCC(C(=O)c1cccs1)N1CCCC1
InChIInChI=1S/C13H19NOS/c1-2-6-11(14-8-3-4-9-14)13(15)12-7-5-10-16-12/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyOOSRPGUQJAKBLV-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
1-(3-bromothiophen-2-yl)-2-pyrrolidin-1-ylpentan-1-one
CID 132533410
2-propyl-1,3-dithiophen-2-ylpropane-1,3-dione
CID 132603517
1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
CID 11515769
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
CID 117065161
2,3-dibutyl-1,4-dithiophen-2-ylbutane-1,4-dione
CID 3628681
4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile
CID 11550626
2-(thiophene-2-carbonyl)hexanoic acid
CID 69343472
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
CID 11716875
3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one?
The IUPAC name of 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one (CID 71721462) is 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one?
The canonical SMILES for 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one is CCCC(C(=O)c1cccs1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one?
The InChIKey is OOSRPGUQJAKBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-6-11(14-8-3-4-9-14)13(15)12-7-5-10-16-12/h5,7,10-11H,2-4,6,8-9H2,1H3.
What are the key properties of 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one?
2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one has a molecular weight of 237.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one is sourced from PubChem (CID 71721462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).