but-1-ene;1-ethenylpyrrolidin-2-one

C10H17NO — CID 67080053

IUPACbut-1-ene;1-ethenylpyrrolidin-2-one
SMILESC=CCC.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H8/c1-2-7-5-3-4-6(7)8;1-3-4-2/h2H,1,3-5H2;3H,1,4H2,2H3
InChIKeyVHHVTXIVVKCDQS-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.33
Rot. Bonds2

About but-1-ene;1-ethenylpyrrolidin-2-one

but-1-ene;1-ethenylpyrrolidin-2-one (PubChem CID 67080053) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is but-1-ene;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Namebut-1-ene;1-ethenylpyrrolidin-2-one
PubChem CID67080053
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namebut-1-ene;1-ethenylpyrrolidin-2-one
SMILESC=CCC.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H8/c1-2-7-5-3-4-6(7)8;1-3-4-2/h2H,1,3-5H2;3H,1,4H2,2H3
InChIKeyVHHVTXIVVKCDQS-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.33
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 but-1-ene;1-ethenylpyrrolidin-2-one?
The IUPAC name of but-1-ene;1-ethenylpyrrolidin-2-one (CID 67080053) is but-1-ene;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for but-1-ene;1-ethenylpyrrolidin-2-one?
The canonical SMILES for but-1-ene;1-ethenylpyrrolidin-2-one is C=CCC.C=CN1CCCC1=O.
What is the InChIKey of but-1-ene;1-ethenylpyrrolidin-2-one?
The InChIKey is VHHVTXIVVKCDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H8/c1-2-7-5-3-4-6(7)8;1-3-4-2/h2H,1,3-5H2;3H,1,4H2,2H3.
What are the key properties of but-1-ene;1-ethenylpyrrolidin-2-one?
but-1-ene;1-ethenylpyrrolidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 67080053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).