1-pyrrolidin-1-ylpent-4-en-1-one

C9H15NO — CID 12757136

IUPAC1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=CCCC(=O)N1CCCC1
InChIInChI=1S/C9H15NO/c1-2-3-6-9(11)10-7-4-5-8-10/h2H,1,3-8H2
InChIKeyDXPOXWQONXEXNI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds3

About 1-pyrrolidin-1-ylpent-4-en-1-one

1-pyrrolidin-1-ylpent-4-en-1-one (PubChem CID 12757136) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpent-4-en-1-one
PubChem CID12757136
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-pyrrolidin-1-ylpent-4-en-1-one
SMILESC=CCCC(=O)N1CCCC1
InChIInChI=1S/C9H15NO/c1-2-3-6-9(11)10-7-4-5-8-10/h2H,1,3-8H2
InChIKeyDXPOXWQONXEXNI-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
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-pyrrolidin-1-ylpent-4-en-1-one?
The IUPAC name of 1-pyrrolidin-1-ylpent-4-en-1-one (CID 12757136) is 1-pyrrolidin-1-ylpent-4-en-1-one.
What is the SMILES notation for 1-pyrrolidin-1-ylpent-4-en-1-one?
The canonical SMILES for 1-pyrrolidin-1-ylpent-4-en-1-one is C=CCCC(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylpent-4-en-1-one?
The InChIKey is DXPOXWQONXEXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-6-9(11)10-7-4-5-8-10/h2H,1,3-8H2.
What are the key properties of 1-pyrrolidin-1-ylpent-4-en-1-one?
1-pyrrolidin-1-ylpent-4-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 12757136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).