3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol

C15H21NOS — CID 83221661

IUPAC3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCCC1CCC(C)N1Cc1sccc1C#CCO
InChIInChI=1S/C15H21NOS/c1-3-14-7-6-12(2)16(14)11-15-13(5-4-9-17)8-10-18-15/h8,10,12,14,17H,3,6-7,9,11H2,1-2H3
InChIKeyPGWSSKZWAZCWNX-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.85
Rot. Bonds3

About 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 83221661) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID83221661
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCCC1CCC(C)N1Cc1sccc1C#CCO
InChIInChI=1S/C15H21NOS/c1-3-14-7-6-12(2)16(14)11-15-13(5-4-9-17)8-10-18-15/h8,10,12,14,17H,3,6-7,9,11H2,1-2H3
InChIKeyPGWSSKZWAZCWNX-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 83221661) is 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol is CCC1CCC(C)N1Cc1sccc1C#CCO.
What is the InChIKey of 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is PGWSSKZWAZCWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-3-14-7-6-12(2)16(14)11-15-13(5-4-9-17)8-10-18-15/h8,10,12,14,17H,3,6-7,9,11H2,1-2H3.
What are the key properties of 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 263.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 83221661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).