1-ethenylpyrrolidin-2-one;prop-1-ene

C9H15NO — CID 159087009

IUPAC1-ethenylpyrrolidin-2-one;prop-1-ene
SMILESC=CC.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C3H6/c1-2-7-5-3-4-6(7)8;1-3-2/h2H,1,3-5H2;3H,1H2,2H3
InChIKeyKBOHWVLQVWZBGE-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.94
Rot. Bonds1

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

1-ethenylpyrrolidin-2-one;prop-1-ene (PubChem CID 159087009) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;prop-1-ene.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;prop-1-ene
PubChem CID159087009
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-ethenylpyrrolidin-2-one;prop-1-ene
SMILESC=CC.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C3H6/c1-2-7-5-3-4-6(7)8;1-3-2/h2H,1,3-5H2;3H,1H2,2H3
InChIKeyKBOHWVLQVWZBGE-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.94
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-ethenylpyrrolidin-2-one;prop-1-ene?
The IUPAC name of 1-ethenylpyrrolidin-2-one;prop-1-ene (CID 159087009) is 1-ethenylpyrrolidin-2-one;prop-1-ene.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;prop-1-ene?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;prop-1-ene is C=CC.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;prop-1-ene?
The InChIKey is KBOHWVLQVWZBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H6/c1-2-7-5-3-4-6(7)8;1-3-2/h2H,1,3-5H2;3H,1H2,2H3.
What are the key properties of 1-ethenylpyrrolidin-2-one;prop-1-ene?
1-ethenylpyrrolidin-2-one;prop-1-ene has a molecular weight of 153.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;prop-1-ene is sourced from PubChem (CID 159087009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).