[2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C16H17NOS — CID 50747416

IUPAC[2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H17NOS/c1-12-6-2-3-7-13(12)14-8-4-10-17(14)16(18)15-9-5-11-19-15/h2-3,5-7,9,11,14H,4,8,10H2,1H3
InChIKeyRVPAKYXYUVQXOO-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.03
Rot. Bonds2

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

[2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 50747416) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is [2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID50747416
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name[2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H17NOS/c1-12-6-2-3-7-13(12)14-8-4-10-17(14)16(18)15-9-5-11-19-15/h2-3,5-7,9,11,14H,4,8,10H2,1H3
InChIKeyRVPAKYXYUVQXOO-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 50747416) is [2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is Cc1ccccc1C1CCCN1C(=O)c1cccs1.
What is the InChIKey of [2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is RVPAKYXYUVQXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12-6-2-3-7-13(12)14-8-4-10-17(14)16(18)15-9-5-11-19-15/h2-3,5-7,9,11,14H,4,8,10H2,1H3.
What are the key properties of [2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 271.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 50747416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).