1-methylpyrrolidin-1-ium-2-one

C5H10NO+ — CID 101444740

IUPAC1-methylpyrrolidin-1-ium-2-one
SMILESC[NH+]1CCCC1=O
InChIInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/p+1
InChIKeySECXISVLQFMRJM-UHFFFAOYSA-O
MW100.14 g/mol
LogP-1.18
Rot. Bonds

About 1-methylpyrrolidin-1-ium-2-one

1-methylpyrrolidin-1-ium-2-one (PubChem CID 101444740) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is 1-methylpyrrolidin-1-ium-2-one.

Molecular Properties

Compound Name1-methylpyrrolidin-1-ium-2-one
PubChem CID101444740
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Name1-methylpyrrolidin-1-ium-2-one
SMILESC[NH+]1CCCC1=O
InChIInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/p+1
InChIKeySECXISVLQFMRJM-UHFFFAOYSA-O
XLogP-1.18
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-1-ium-2-one?
The IUPAC name of 1-methylpyrrolidin-1-ium-2-one (CID 101444740) is 1-methylpyrrolidin-1-ium-2-one.
What is the SMILES notation for 1-methylpyrrolidin-1-ium-2-one?
The canonical SMILES for 1-methylpyrrolidin-1-ium-2-one is C[NH+]1CCCC1=O.
What is the InChIKey of 1-methylpyrrolidin-1-ium-2-one?
The InChIKey is SECXISVLQFMRJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/p+1.
What are the key properties of 1-methylpyrrolidin-1-ium-2-one?
1-methylpyrrolidin-1-ium-2-one has a molecular weight of 100.14 g/mol, XLogP of -1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-1-ium-2-one is sourced from PubChem (CID 101444740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).