(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate

C16H18N2O3S — CID 18170079

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate
SMILESCC(OC(=O)c1sccc1-n1cccc1)C(=O)N1CCCC1
InChIInChI=1S/C16H18N2O3S/c1-12(15(19)18-9-4-5-10-18)21-16(20)14-13(6-11-22-14)17-7-2-3-8-17/h2-3,6-8,11-12H,4-5,9-10H2,1H3
InChIKeyNIGMBGKBOUXBGE-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.71
Rot. Bonds4

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate (PubChem CID 18170079) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate
PubChem CID18170079
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate
SMILESCC(OC(=O)c1sccc1-n1cccc1)C(=O)N1CCCC1
InChIInChI=1S/C16H18N2O3S/c1-12(15(19)18-9-4-5-10-18)21-16(20)14-13(6-11-22-14)17-7-2-3-8-17/h2-3,6-8,11-12H,4-5,9-10H2,1H3
InChIKeyNIGMBGKBOUXBGE-UHFFFAOYSA-N
XLogP2.71
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate
CID 18170096
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate
CID 18170091
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3,6-dichloro-1-benzothiophene-2-carboxylate
CID 8761706
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-pyrazol-1-ylbenzoate
CID 18192323
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-hydroxybenzoate
CID 7790061
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681471
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate
CID 18194139
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate
CID 60730477
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 8012432

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate (CID 18170079) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate is CC(OC(=O)c1sccc1-n1cccc1)C(=O)N1CCCC1.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate?
The InChIKey is NIGMBGKBOUXBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12(15(19)18-9-4-5-10-18)21-16(20)14-13(6-11-22-14)17-7-2-3-8-17/h2-3,6-8,11-12H,4-5,9-10H2,1H3.
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-pyrrol-1-ylthiophene-2-carboxylate is sourced from PubChem (CID 18170079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).