(3-methyl-2-oxopyrrolidin-1-yl)azanium chloride

C5H11ClN2O — CID 67436721

IUPAC(3-methyl-2-oxopyrrolidin-1-yl)azanium chloride
SMILESCC1CCN([NH3+])C1=O.[Cl-]
InChIInChI=1S/C5H10N2O.ClH/c1-4-2-3-7(6)5(4)8;/h4H,2-3,6H2,1H3;1H
InChIKeyRFNMAXDNMSXTNQ-UHFFFAOYSA-N
MW150.61 g/mol
LogP-3.98
Rot. Bonds

About (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride

(3-methyl-2-oxopyrrolidin-1-yl)azanium chloride (PubChem CID 67436721) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride.

Molecular Properties

Compound Name(3-methyl-2-oxopyrrolidin-1-yl)azanium chloride
PubChem CID67436721
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name(3-methyl-2-oxopyrrolidin-1-yl)azanium chloride
SMILESCC1CCN([NH3+])C1=O.[Cl-]
InChIInChI=1S/C5H10N2O.ClH/c1-4-2-3-7(6)5(4)8;/h4H,2-3,6H2,1H3;1H
InChIKeyRFNMAXDNMSXTNQ-UHFFFAOYSA-N
XLogP-3.98
TPSA47.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 5-3.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride?
The IUPAC name of (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride (CID 67436721) is (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride.
What is the SMILES notation for (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride?
The canonical SMILES for (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride is CC1CCN([NH3+])C1=O.[Cl-].
What is the InChIKey of (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride?
The InChIKey is RFNMAXDNMSXTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c1-4-2-3-7(6)5(4)8;/h4H,2-3,6H2,1H3;1H.
What are the key properties of (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride?
(3-methyl-2-oxopyrrolidin-1-yl)azanium chloride has a molecular weight of 150.61 g/mol, XLogP of -3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxopyrrolidin-1-yl)azanium chloride is sourced from PubChem (CID 67436721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).