4-hydroxybutanamide;hydrochloride

C4H10ClNO2 — CID 21222088

IUPAC4-hydroxybutanamide;hydrochloride
SMILESCl.NC(=O)CCCO
InChIInChI=1S/C4H9NO2.ClH/c5-4(7)2-1-3-6;/h6H,1-3H2,(H2,5,7);1H
InChIKeyQVBQNTPXILFTEM-UHFFFAOYSA-N
MW139.58 g/mol
LogP-0.33
Rot. Bonds3

About 4-hydroxybutanamide;hydrochloride

4-hydroxybutanamide;hydrochloride (PubChem CID 21222088) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is 4-hydroxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxybutanamide;hydrochloride
PubChem CID21222088
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Name4-hydroxybutanamide;hydrochloride
SMILESCl.NC(=O)CCCO
InChIInChI=1S/C4H9NO2.ClH/c5-4(7)2-1-3-6;/h6H,1-3H2,(H2,5,7);1H
InChIKeyQVBQNTPXILFTEM-UHFFFAOYSA-N
XLogP-0.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutanamide;hydrochloride?
The IUPAC name of 4-hydroxybutanamide;hydrochloride (CID 21222088) is 4-hydroxybutanamide;hydrochloride.
What is the SMILES notation for 4-hydroxybutanamide;hydrochloride?
The canonical SMILES for 4-hydroxybutanamide;hydrochloride is Cl.NC(=O)CCCO.
What is the InChIKey of 4-hydroxybutanamide;hydrochloride?
The InChIKey is QVBQNTPXILFTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.ClH/c5-4(7)2-1-3-6;/h6H,1-3H2,(H2,5,7);1H.
What are the key properties of 4-hydroxybutanamide;hydrochloride?
4-hydroxybutanamide;hydrochloride has a molecular weight of 139.58 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutanamide;hydrochloride is sourced from PubChem (CID 21222088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).