4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one

C16H30N2O — CID 122534314

IUPAC4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one
SMILESC=C(NCCCC)C1CC(=O)N(CCCCCC)C1
InChIInChI=1S/C16H30N2O/c1-4-6-8-9-11-18-13-15(12-16(18)19)14(3)17-10-7-5-2/h15,17H,3-13H2,1-2H3
InChIKeySLYXFCWJMVVYGS-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.32
Rot. Bonds10

About 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one

4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one (PubChem CID 122534314) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one
PubChem CID122534314
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one
SMILESC=C(NCCCC)C1CC(=O)N(CCCCCC)C1
InChIInChI=1S/C16H30N2O/c1-4-6-8-9-11-18-13-15(12-16(18)19)14(3)17-10-7-5-2/h15,17H,3-13H2,1-2H3
InChIKeySLYXFCWJMVVYGS-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one?
The IUPAC name of 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one (CID 122534314) is 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one.
What is the SMILES notation for 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one?
The canonical SMILES for 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one is C=C(NCCCC)C1CC(=O)N(CCCCCC)C1.
What is the InChIKey of 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one?
The InChIKey is SLYXFCWJMVVYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-6-8-9-11-18-13-15(12-16(18)19)14(3)17-10-7-5-2/h15,17H,3-13H2,1-2H3.
What are the key properties of 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one?
4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one has a molecular weight of 266.43 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(butylamino)ethenyl]-1-hexylpyrrolidin-2-one is sourced from PubChem (CID 122534314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).