[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C13H17NO2S — CID 91908887

IUPAC[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C13H17NO2S/c15-13(12-2-1-7-17-12)14-6-5-11(8-14)16-9-10-3-4-10/h1-2,7,10-11H,3-6,8-9H2
InChIKeyNIPUMRPGAMNAAD-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.39
Rot. Bonds4

About [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 91908887) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID91908887
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C13H17NO2S/c15-13(12-2-1-7-17-12)14-6-5-11(8-14)16-9-10-3-4-10/h1-2,7,10-11H,3-6,8-9H2
InChIKeyNIPUMRPGAMNAAD-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 91908887) is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(OCC2CC2)C1.
What is the InChIKey of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is NIPUMRPGAMNAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-13(12-2-1-7-17-12)14-6-5-11(8-14)16-9-10-3-4-10/h1-2,7,10-11H,3-6,8-9H2.
What are the key properties of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 251.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 91908887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).