N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide

C12H14N2O2S — CID 71789233

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)c1ccsc1
InChIInChI=1S/C12H14N2O2S/c15-11-5-9(6-14(11)10-1-2-10)13-12(16)8-3-4-17-7-8/h3-4,7,9-10H,1-2,5-6H2,(H,13,16)
InChIKeyBBMTZFVHZUZZIX-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.24
Rot. Bonds3

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide (PubChem CID 71789233) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
PubChem CID71789233
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)c1ccsc1
InChIInChI=1S/C12H14N2O2S/c15-11-5-9(6-14(11)10-1-2-10)13-12(16)8-3-4-17-7-8/h3-4,7,9-10H,1-2,5-6H2,(H,13,16)
InChIKeyBBMTZFVHZUZZIX-UHFFFAOYSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide (CID 71789233) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide is O=C(NC1CC(=O)N(C2CC2)C1)c1ccsc1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
The InChIKey is BBMTZFVHZUZZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-11-5-9(6-14(11)10-1-2-10)13-12(16)8-3-4-17-7-8/h3-4,7,9-10H,1-2,5-6H2,(H,13,16).
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 71789233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).