4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride

C12H18ClNOS — CID 3072569

IUPAC4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCCC1)c1cccs1
InChIInChI=1S/C12H17NOS.ClH/c14-11(12-6-4-10-15-12)5-3-9-13-7-1-2-8-13;/h4,6,10H,1-3,5,7-9H2;1H
InChIKeyDRSKILQINDAQCS-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.23
Rot. Bonds5

About 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride

4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride (PubChem CID 3072569) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride
PubChem CID3072569
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCCC1)c1cccs1
InChIInChI=1S/C12H17NOS.ClH/c14-11(12-6-4-10-15-12)5-3-9-13-7-1-2-8-13;/h4,6,10H,1-3,5,7-9H2;1H
InChIKeyDRSKILQINDAQCS-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propanone, 3-(1-pyrrolidinyl)-1-(2-thienyl)-
CID 224019
2-(1-Pyrrolidinyl)-1-(2-thienyl)-1-pentanone
CID 71721462
3-(Dimethylamino)-1-(2-thienyl)-1-propanone
CID 408257
gamma-(2-Aminoethylamino)-2-butryothienone
CID 126103
3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
CID 2876891
3-(3-Phenyl-pyrrolidin-1-yl)-1-thiophen-2-yl-propan-1-one
CID 2893244
3-[Bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231874
1-Butanone, 4-((2-hydroxyethyl)methylamino)-1-(2-thienyl)-
CID 3072336
1-Butanone, 4-(1-piperidinyl)-1-(2-thienyl)-, hydrochloride
CID 3072571
1-Butanone, 4-(3-methyl-1-piperidinyl)-1-(2-thienyl)-, hydrochloride
CID 3072573
1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride
CID 3072575
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide
CID 2533045

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride?
The IUPAC name of 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride (CID 3072569) is 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride?
The canonical SMILES for 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride is Cl.O=C(CCCN1CCCC1)c1cccs1.
What is the InChIKey of 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride?
The InChIKey is DRSKILQINDAQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS.ClH/c14-11(12-6-4-10-15-12)5-3-9-13-7-1-2-8-13;/h4,6,10H,1-3,5,7-9H2;1H.
What are the key properties of 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride?
4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride has a molecular weight of 259.80 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-1-thiophen-2-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 3072569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).