[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate

C15H20N2O4S — CID 3889070

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)NNC(=O)c1cccs1
InChIInChI=1S/C15H20N2O4S/c18-13(16-17-15(20)12-6-3-9-22-12)10-21-14(19)8-7-11-4-1-2-5-11/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,16,18)(H,17,20)
InChIKeyCBCWEZQYZFKBQQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.02
Rot. Bonds6

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate (PubChem CID 3889070) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate
PubChem CID3889070
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)NNC(=O)c1cccs1
InChIInChI=1S/C15H20N2O4S/c18-13(16-17-15(20)12-6-3-9-22-12)10-21-14(19)8-7-11-4-1-2-5-11/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,16,18)(H,17,20)
InChIKeyCBCWEZQYZFKBQQ-UHFFFAOYSA-N
XLogP2.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate (CID 3889070) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate?
The InChIKey is CBCWEZQYZFKBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-13(16-17-15(20)12-6-3-9-22-12)10-21-14(19)8-7-11-4-1-2-5-11/h3,6,9,11H,1-2,4-5,7-8,10H2,(H,16,18)(H,17,20).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate has a molecular weight of 324.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 3889070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).