1-but-2-enylpyrrolidin-2-one

C8H13NO — CID 57020232

IUPAC1-but-2-enylpyrrolidin-2-one
SMILESCC=CCN1CCCC1=O
InChIInChI=1S/C8H13NO/c1-2-3-6-9-7-4-5-8(9)10/h2-3H,4-7H2,1H3
InChIKeyNLRAOUTYZJHFRK-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds2

About 1-but-2-enylpyrrolidin-2-one

1-but-2-enylpyrrolidin-2-one (PubChem CID 57020232) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-but-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name1-but-2-enylpyrrolidin-2-one
PubChem CID57020232
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-but-2-enylpyrrolidin-2-one
SMILESCC=CCN1CCCC1=O
InChIInChI=1S/C8H13NO/c1-2-3-6-9-7-4-5-8(9)10/h2-3H,4-7H2,1H3
InChIKeyNLRAOUTYZJHFRK-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
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-but-2-enylpyrrolidin-2-one?
The IUPAC name of 1-but-2-enylpyrrolidin-2-one (CID 57020232) is 1-but-2-enylpyrrolidin-2-one.
What is the SMILES notation for 1-but-2-enylpyrrolidin-2-one?
The canonical SMILES for 1-but-2-enylpyrrolidin-2-one is CC=CCN1CCCC1=O.
What is the InChIKey of 1-but-2-enylpyrrolidin-2-one?
The InChIKey is NLRAOUTYZJHFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-6-9-7-4-5-8(9)10/h2-3H,4-7H2,1H3.
What are the key properties of 1-but-2-enylpyrrolidin-2-one?
1-but-2-enylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enylpyrrolidin-2-one is sourced from PubChem (CID 57020232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).