1-methylpyrrolidin-2-one;prop-1-ene

C8H15NO — CID 18313718

IUPAC1-methylpyrrolidin-2-one;prop-1-ene
SMILESC=CC.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H6/c1-6-4-2-3-5(6)7;1-3-2/h2-4H2,1H3;3H,1H2,2H3
InChIKeyLKLOWYVNNYQBRU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds

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

1-methylpyrrolidin-2-one;prop-1-ene (PubChem CID 18313718) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;prop-1-ene.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;prop-1-ene
PubChem CID18313718
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-methylpyrrolidin-2-one;prop-1-ene
SMILESC=CC.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H6/c1-6-4-2-3-5(6)7;1-3-2/h2-4H2,1H3;3H,1H2,2H3
InChIKeyLKLOWYVNNYQBRU-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
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-methylpyrrolidin-2-one;prop-1-ene?
The IUPAC name of 1-methylpyrrolidin-2-one;prop-1-ene (CID 18313718) is 1-methylpyrrolidin-2-one;prop-1-ene.
What is the SMILES notation for 1-methylpyrrolidin-2-one;prop-1-ene?
The canonical SMILES for 1-methylpyrrolidin-2-one;prop-1-ene is C=CC.CN1CCCC1=O.
What is the InChIKey of 1-methylpyrrolidin-2-one;prop-1-ene?
The InChIKey is LKLOWYVNNYQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H6/c1-6-4-2-3-5(6)7;1-3-2/h2-4H2,1H3;3H,1H2,2H3.
What are the key properties of 1-methylpyrrolidin-2-one;prop-1-ene?
1-methylpyrrolidin-2-one;prop-1-ene has a molecular weight of 141.21 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;prop-1-ene is sourced from PubChem (CID 18313718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).