3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one

C15H19NOSe — CID 11185906

IUPAC3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCCC[Se]c2ccccc2)CC1
InChIInChI=1S/C15H19NOSe/c17-14-9-8-13(12-14)16-10-4-5-11-18-15-6-2-1-3-7-15/h1-3,6-7,12,16H,4-5,8-11H2
InChIKeyWEFSBEAVJAIRHZ-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.05
Rot. Bonds7

About 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one

3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one (PubChem CID 11185906) has the molecular formula C15H19NOSe and a molecular weight of 308.28 g/mol. Its IUPAC name is 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one
PubChem CID11185906
Molecular FormulaC15H19NOSe
Molecular Weight308.28 g/mol
Exact Mass309.06
IUPAC Name3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCCC[Se]c2ccccc2)CC1
InChIInChI=1S/C15H19NOSe/c17-14-9-8-13(12-14)16-10-4-5-11-18-15-6-2-1-3-7-15/h1-3,6-7,12,16H,4-5,8-11H2
InChIKeyWEFSBEAVJAIRHZ-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one (CID 11185906) is 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one is O=C1C=C(NCCCC[Se]c2ccccc2)CC1.
What is the InChIKey of 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one?
The InChIKey is WEFSBEAVJAIRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOSe/c17-14-9-8-13(12-14)16-10-4-5-11-18-15-6-2-1-3-7-15/h1-3,6-7,12,16H,4-5,8-11H2.
What are the key properties of 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one?
3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one has a molecular weight of 308.28 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 11185906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).