pyrrolidin-3-one;hydrochloride

C4H8ClNO — CID 19106857

IUPACpyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCNC1
InChIInChI=1S/C4H7NO.ClH/c6-4-1-2-5-3-4;/h5H,1-3H2;1H
InChIKeyDPSTYIOIVSHZRI-UHFFFAOYSA-N
MW121.57 g/mol
LogP-0.03
Rot. Bonds

About pyrrolidin-3-one;hydrochloride

pyrrolidin-3-one;hydrochloride (PubChem CID 19106857) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is pyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-one;hydrochloride
PubChem CID19106857
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Namepyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCNC1
InChIInChI=1S/C4H7NO.ClH/c6-4-1-2-5-3-4;/h5H,1-3H2;1H
InChIKeyDPSTYIOIVSHZRI-UHFFFAOYSA-N
XLogP-0.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-one;hydrochloride?
The IUPAC name of pyrrolidin-3-one;hydrochloride (CID 19106857) is pyrrolidin-3-one;hydrochloride.
What is the SMILES notation for pyrrolidin-3-one;hydrochloride?
The canonical SMILES for pyrrolidin-3-one;hydrochloride is Cl.O=C1CCNC1.
What is the InChIKey of pyrrolidin-3-one;hydrochloride?
The InChIKey is DPSTYIOIVSHZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.ClH/c6-4-1-2-5-3-4;/h5H,1-3H2;1H.
What are the key properties of pyrrolidin-3-one;hydrochloride?
pyrrolidin-3-one;hydrochloride has a molecular weight of 121.57 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 19106857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).