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

C5H11ClN2O — CID 67126653

IUPAC4-(aminomethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCC1CNC(=O)C1
InChIInChI=1S/C5H10N2O.ClH/c6-2-4-1-5(8)7-3-4;/h4H,1-3,6H2,(H,7,8);1H
InChIKeyKWHAXXIEOKYGKQ-UHFFFAOYSA-N
MW150.61 g/mol
LogP-0.50
Rot. Bonds1

About 4-(aminomethyl)pyrrolidin-2-one;hydrochloride

4-(aminomethyl)pyrrolidin-2-one;hydrochloride (PubChem CID 67126653) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is 4-(aminomethyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)pyrrolidin-2-one;hydrochloride
PubChem CID67126653
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name4-(aminomethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCC1CNC(=O)C1
InChIInChI=1S/C5H10N2O.ClH/c6-2-4-1-5(8)7-3-4;/h4H,1-3,6H2,(H,7,8);1H
InChIKeyKWHAXXIEOKYGKQ-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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Related Compounds

1-(3-Aminopropyl)-2-pyrrolidinone
CID 82111
3-Methylpyrrolidin-2-one
CID 102848
3-Ethyl-2-pyrrolidinone
CID 18442682
4-Methyl-2-pyrrolidinone
CID 533920
3,3-Dimethylpyrrolidin-2-one
CID 5114908
4,4-Dimethyl-2-pyrrolidinone
CID 637593
2-Pyrrolidone, hydrochloride
CID 3048222
5-Oxopyrrolidine-3-carboxamide
CID 3528514
3,4-Dimethylpyrrolidin-2-one
CID 13297684
4-(Iodomethyl)pyrrolidin-2-one
CID 17948935
4-(Aminomethyl)pyrrolidin-2-one
CID 19757933
N-Methylpyrrolidine-3-carboxamide
CID 23090433

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-(aminomethyl)pyrrolidin-2-one;hydrochloride (CID 67126653) is 4-(aminomethyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-(aminomethyl)pyrrolidin-2-one;hydrochloride is Cl.NCC1CNC(=O)C1.
What is the InChIKey of 4-(aminomethyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is KWHAXXIEOKYGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c6-2-4-1-5(8)7-3-4;/h4H,1-3,6H2,(H,7,8);1H.
What are the key properties of 4-(aminomethyl)pyrrolidin-2-one;hydrochloride?
4-(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 4-(aminomethyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 67126653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).