1-[(E)-pent-1-enyl]pyrrolidin-2-one

C9H15NO — CID 18954375

IUPAC1-[(E)-pent-1-enyl]pyrrolidin-2-one
SMILESCCC/C=C/N1CCCC1=O
InChIInChI=1S/C9H15NO/c1-2-3-4-7-10-8-5-6-9(10)11/h4,7H,2-3,5-6,8H2,1H3/b7-4+
InChIKeyZEBCSPOGVDTDGI-QPJJXVBHSA-N
MW153.22 g/mol
LogP1.92
Rot. Bonds3

About 1-[(E)-pent-1-enyl]pyrrolidin-2-one

1-[(E)-pent-1-enyl]pyrrolidin-2-one (PubChem CID 18954375) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(E)-pent-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-pent-1-enyl]pyrrolidin-2-one
PubChem CID18954375
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(E)-pent-1-enyl]pyrrolidin-2-one
SMILESCCC/C=C/N1CCCC1=O
InChIInChI=1S/C9H15NO/c1-2-3-4-7-10-8-5-6-9(10)11/h4,7H,2-3,5-6,8H2,1H3/b7-4+
InChIKeyZEBCSPOGVDTDGI-QPJJXVBHSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-1-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-pent-1-enyl]pyrrolidin-2-one (CID 18954375) is 1-[(E)-pent-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-pent-1-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-pent-1-enyl]pyrrolidin-2-one is CCC/C=C/N1CCCC1=O.
What is the InChIKey of 1-[(E)-pent-1-enyl]pyrrolidin-2-one?
The InChIKey is ZEBCSPOGVDTDGI-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-7-10-8-5-6-9(10)11/h4,7H,2-3,5-6,8H2,1H3/b7-4+.
What are the key properties of 1-[(E)-pent-1-enyl]pyrrolidin-2-one?
1-[(E)-pent-1-enyl]pyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 18954375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).