(2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone

C10H13NOS — CID 18711909

IUPAC(2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone
SMILESCC1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C10H13NOS/c1-8-3-2-5-11(8)10(12)9-4-6-13-7-9/h4,6-8H,2-3,5H2,1H3
InChIKeyUUAOGTGEROGSTN-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.37
Rot. Bonds1

About (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone

(2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone (PubChem CID 18711909) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone
PubChem CID18711909
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone
SMILESCC1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C10H13NOS/c1-8-3-2-5-11(8)10(12)9-4-6-13-7-9/h4,6-8H,2-3,5H2,1H3
InChIKeyUUAOGTGEROGSTN-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone (CID 18711909) is (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone is CC1CCCN1C(=O)c1ccsc1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is UUAOGTGEROGSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8-3-2-5-11(8)10(12)9-4-6-13-7-9/h4,6-8H,2-3,5H2,1H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone?
(2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 195.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 18711909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).