3-(aminomethyl)pyrrolidin-2-one;hydrochloride

C5H11ClN2O — CID 77340123

IUPAC3-(aminomethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCC1CCNC1=O
InChIInChI=1S/C5H10N2O.ClH/c6-3-4-1-2-7-5(4)8;/h4H,1-3,6H2,(H,7,8);1H
InChIKeyILFILASFTKMOGH-UHFFFAOYSA-N
MW150.61 g/mol
LogP-0.50
Rot. Bonds1

About 3-(aminomethyl)pyrrolidin-2-one;hydrochloride

3-(aminomethyl)pyrrolidin-2-one;hydrochloride (PubChem CID 77340123) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is 3-(aminomethyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)pyrrolidin-2-one;hydrochloride
PubChem CID77340123
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name3-(aminomethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCC1CCNC1=O
InChIInChI=1S/C5H10N2O.ClH/c6-3-4-1-2-7-5(4)8;/h4H,1-3,6H2,(H,7,8);1H
InChIKeyILFILASFTKMOGH-UHFFFAOYSA-N
XLogP-0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)pyrrolidin-2-one;hydrochloride (CID 77340123) is 3-(aminomethyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)pyrrolidin-2-one;hydrochloride is Cl.NCC1CCNC1=O.
What is the InChIKey of 3-(aminomethyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is ILFILASFTKMOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c6-3-4-1-2-7-5(4)8;/h4H,1-3,6H2,(H,7,8);1H.
What are the key properties of 3-(aminomethyl)pyrrolidin-2-one;hydrochloride?
3-(aminomethyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 77340123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).