1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one

C14H25NO — CID 166967507

IUPAC1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one
SMILESC=C(CCC)C1CCCN1C(=O)CCCC
InChIInChI=1S/C14H25NO/c1-4-6-10-14(16)15-11-7-9-13(15)12(3)8-5-2/h13H,3-11H2,1-2H3
InChIKeyVPZSOPSPOHPYBU-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.52
Rot. Bonds6

About 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one

1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 166967507) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID166967507
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one
SMILESC=C(CCC)C1CCCN1C(=O)CCCC
InChIInChI=1S/C14H25NO/c1-4-6-10-14(16)15-11-7-9-13(15)12(3)8-5-2/h13H,3-11H2,1-2H3
InChIKeyVPZSOPSPOHPYBU-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one (CID 166967507) is 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one is C=C(CCC)C1CCCN1C(=O)CCCC.
What is the InChIKey of 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is VPZSOPSPOHPYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-10-14(16)15-11-7-9-13(15)12(3)8-5-2/h13H,3-11H2,1-2H3.
What are the key properties of 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one?
1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pent-1-en-2-ylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 166967507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).