1-methylpyrrolidin-3-one;hydrochloride

C5H10ClNO — CID 12619383

IUPAC1-methylpyrrolidin-3-one;hydrochloride
SMILESCN1CCC(=O)C1.Cl
InChIInChI=1S/C5H9NO.ClH/c1-6-3-2-5(7)4-6;/h2-4H2,1H3;1H
InChIKeyCMLYAYLOSPXWCQ-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.31
Rot. Bonds

About 1-methylpyrrolidin-3-one;hydrochloride

1-methylpyrrolidin-3-one;hydrochloride (PubChem CID 12619383) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 1-methylpyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name1-methylpyrrolidin-3-one;hydrochloride
PubChem CID12619383
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name1-methylpyrrolidin-3-one;hydrochloride
SMILESCN1CCC(=O)C1.Cl
InChIInChI=1S/C5H9NO.ClH/c1-6-3-2-5(7)4-6;/h2-4H2,1H3;1H
InChIKeyCMLYAYLOSPXWCQ-UHFFFAOYSA-N
XLogP0.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-3-one;hydrochloride?
The IUPAC name of 1-methylpyrrolidin-3-one;hydrochloride (CID 12619383) is 1-methylpyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 1-methylpyrrolidin-3-one;hydrochloride?
The canonical SMILES for 1-methylpyrrolidin-3-one;hydrochloride is CN1CCC(=O)C1.Cl.
What is the InChIKey of 1-methylpyrrolidin-3-one;hydrochloride?
The InChIKey is CMLYAYLOSPXWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-6-3-2-5(7)4-6;/h2-4H2,1H3;1H.
What are the key properties of 1-methylpyrrolidin-3-one;hydrochloride?
1-methylpyrrolidin-3-one;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 12619383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).