1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one

C17H19NOS — CID 155529982

IUPAC1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(-c2cccs2)cc1)N1CCCC1
InChIInChI=1S/C17H19NOS/c19-17(18-11-1-2-12-18)10-7-14-5-8-15(9-6-14)16-4-3-13-20-16/h3-6,8-9,13H,1-2,7,10-12H2
InChIKeyBHZCEFAELXMJBU-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.97
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one

1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one (PubChem CID 155529982) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one
PubChem CID155529982
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(-c2cccs2)cc1)N1CCCC1
InChIInChI=1S/C17H19NOS/c19-17(18-11-1-2-12-18)10-7-14-5-8-15(9-6-14)16-4-3-13-20-16/h3-6,8-9,13H,1-2,7,10-12H2
InChIKeyBHZCEFAELXMJBU-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(pyrrolidine-1-carbonyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 110083823
3-(4-methylphenyl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798620
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
(3S)-1-butanoyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586361
(3S)-1-butanoyl-N-methyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586365
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
5-[3-(carboxymethyl)piperidin-1-yl]-5-oxo-4-[3-(4-thiophen-2-ylphenyl)propanoylamino]pentanoic acid
CID 71075875
3-(3-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798624
1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110798701
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-thiophen-2-ylpropan-1-one
CID 9117209
1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108547860
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)propan-1-one
CID 90522107

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one (CID 155529982) is 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one is O=C(CCc1ccc(-c2cccs2)cc1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one?
The InChIKey is BHZCEFAELXMJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(18-11-1-2-12-18)10-7-14-5-8-15(9-6-14)16-4-3-13-20-16/h3-6,8-9,13H,1-2,7,10-12H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one?
1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one has a molecular weight of 285.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(4-thiophen-2-ylphenyl)propan-1-one is sourced from PubChem (CID 155529982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).