pyrrol-2-one;hydrochloride

C4H4ClNO — CID 57461391

IUPACpyrrol-2-one;hydrochloride
SMILESCl.O=C1C=CC=N1
InChIInChI=1S/C4H3NO.ClH/c6-4-2-1-3-5-4;/h1-3H;1H
InChIKeyFFBJXAVQHJFYGV-UHFFFAOYSA-N
MW117.53 g/mol
LogP0.58
Rot. Bonds

About pyrrol-2-one;hydrochloride

pyrrol-2-one;hydrochloride (PubChem CID 57461391) has the molecular formula C4H4ClNO and a molecular weight of 117.53 g/mol. Its IUPAC name is pyrrol-2-one;hydrochloride.

Molecular Properties

Compound Namepyrrol-2-one;hydrochloride
PubChem CID57461391
Molecular FormulaC4H4ClNO
Molecular Weight117.53 g/mol
Exact Mass117.00
IUPAC Namepyrrol-2-one;hydrochloride
SMILESCl.O=C1C=CC=N1
InChIInChI=1S/C4H3NO.ClH/c6-4-2-1-3-5-4;/h1-3H;1H
InChIKeyFFBJXAVQHJFYGV-UHFFFAOYSA-N
XLogP0.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.53
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyrrol-2-one;hydrochloride?
The IUPAC name of pyrrol-2-one;hydrochloride (CID 57461391) is pyrrol-2-one;hydrochloride.
What is the SMILES notation for pyrrol-2-one;hydrochloride?
The canonical SMILES for pyrrol-2-one;hydrochloride is Cl.O=C1C=CC=N1.
What is the InChIKey of pyrrol-2-one;hydrochloride?
The InChIKey is FFBJXAVQHJFYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO.ClH/c6-4-2-1-3-5-4;/h1-3H;1H.
What are the key properties of pyrrol-2-one;hydrochloride?
pyrrol-2-one;hydrochloride has a molecular weight of 117.53 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-2-one;hydrochloride is sourced from PubChem (CID 57461391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).