1-methylpyrrolidin-2-(18O)one

C5H9NO — CID 68722871

IUPAC1-methylpyrrolidin-2-(18O)one
SMILESCN1CCCC1=[18O]
InChIInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/i7+2
InChIKeySECXISVLQFMRJM-WGGUOBTBSA-N
MW101.13 g/mol
LogP0.24
Rot. Bonds

About 1-methylpyrrolidin-2-(18O)one

1-methylpyrrolidin-2-(18O)one (PubChem CID 68722871) has the molecular formula C5H9NO and a molecular weight of 101.13 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-(18O)one.

Molecular Properties

Compound Name1-methylpyrrolidin-2-(18O)one
PubChem CID68722871
Molecular FormulaC5H9NO
Molecular Weight101.13 g/mol
Exact Mass101.07
IUPAC Name1-methylpyrrolidin-2-(18O)one
SMILESCN1CCCC1=[18O]
InChIInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/i7+2
InChIKeySECXISVLQFMRJM-WGGUOBTBSA-N
XLogP0.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-(18O)one?
The IUPAC name of 1-methylpyrrolidin-2-(18O)one (CID 68722871) is 1-methylpyrrolidin-2-(18O)one.
What is the SMILES notation for 1-methylpyrrolidin-2-(18O)one?
The canonical SMILES for 1-methylpyrrolidin-2-(18O)one is CN1CCCC1=[18O].
What is the InChIKey of 1-methylpyrrolidin-2-(18O)one?
The InChIKey is SECXISVLQFMRJM-WGGUOBTBSA-N. The full InChI is InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/i7+2.
What are the key properties of 1-methylpyrrolidin-2-(18O)one?
1-methylpyrrolidin-2-(18O)one has a molecular weight of 101.13 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-(18O)one is sourced from PubChem (CID 68722871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).