5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one

C12H14N2OS — CID 112557042

IUPAC5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CC1CCCN1
InChIInChI=1S/C12H14N2OS/c15-12-10-4-7-16-11(10)3-6-14(12)8-9-2-1-5-13-9/h3-4,6-7,9,13H,1-2,5,8H2
InChIKeyXKMPBONRXPYGOK-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.82
Rot. Bonds2

About 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one

5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one (PubChem CID 112557042) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
PubChem CID112557042
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CC1CCCN1
InChIInChI=1S/C12H14N2OS/c15-12-10-4-7-16-11(10)3-6-14(12)8-9-2-1-5-13-9/h3-4,6-7,9,13H,1-2,5,8H2
InChIKeyXKMPBONRXPYGOK-UHFFFAOYSA-N
XLogP1.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one (CID 112557042) is 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1CC1CCCN1.
What is the InChIKey of 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is XKMPBONRXPYGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-12-10-4-7-16-11(10)3-6-14(12)8-9-2-1-5-13-9/h3-4,6-7,9,13H,1-2,5,8H2.
What are the key properties of 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one?
5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 234.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 112557042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).