[(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone

C9H11NO2S — CID 66261386

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC[C@@H](O)C1
InChIInChI=1S/C9H11NO2S/c11-8-1-3-10(5-8)9(12)7-2-4-13-6-7/h2,4,6,8,11H,1,3,5H2/t8-/m1/s1
InChIKeyDNYZCOJOJVCPPO-MRVPVSSYSA-N
MW197.26 g/mol
LogP0.95
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone

[(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 66261386) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID66261386
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC[C@@H](O)C1
InChIInChI=1S/C9H11NO2S/c11-8-1-3-10(5-8)9(12)7-2-4-13-6-7/h2,4,6,8,11H,1,3,5H2/t8-/m1/s1
InChIKeyDNYZCOJOJVCPPO-MRVPVSSYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 66261386) is [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is DNYZCOJOJVCPPO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-8-1-3-10(5-8)9(12)7-2-4-13-6-7/h2,4,6,8,11H,1,3,5H2/t8-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 197.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 66261386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).