propanamide;hydrate;hydrochloride

C3H10ClNO2 — CID 19791604

IUPACpropanamide;hydrate;hydrochloride
SMILESCCC(N)=O.Cl.O
InChIInChI=1S/C3H7NO.ClH.H2O/c1-2-3(4)5;;/h2H2,1H3,(H2,4,5);1H;1H2
InChIKeyATUNAYSDASMSTQ-UHFFFAOYSA-N
MW127.57 g/mol
LogP-0.52
Rot. Bonds1

About propanamide;hydrate;hydrochloride

propanamide;hydrate;hydrochloride (PubChem CID 19791604) has the molecular formula C3H10ClNO2 and a molecular weight of 127.57 g/mol. Its IUPAC name is propanamide;hydrate;hydrochloride.

Molecular Properties

Compound Namepropanamide;hydrate;hydrochloride
PubChem CID19791604
Molecular FormulaC3H10ClNO2
Molecular Weight127.57 g/mol
Exact Mass127.04
IUPAC Namepropanamide;hydrate;hydrochloride
SMILESCCC(N)=O.Cl.O
InChIInChI=1S/C3H7NO.ClH.H2O/c1-2-3(4)5;;/h2H2,1H3,(H2,4,5);1H;1H2
InChIKeyATUNAYSDASMSTQ-UHFFFAOYSA-N
XLogP-0.52
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.57
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propanamide;hydrate;hydrochloride?
The IUPAC name of propanamide;hydrate;hydrochloride (CID 19791604) is propanamide;hydrate;hydrochloride.
What is the SMILES notation for propanamide;hydrate;hydrochloride?
The canonical SMILES for propanamide;hydrate;hydrochloride is CCC(N)=O.Cl.O.
What is the InChIKey of propanamide;hydrate;hydrochloride?
The InChIKey is ATUNAYSDASMSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.ClH.H2O/c1-2-3(4)5;;/h2H2,1H3,(H2,4,5);1H;1H2.
What are the key properties of propanamide;hydrate;hydrochloride?
propanamide;hydrate;hydrochloride has a molecular weight of 127.57 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanamide;hydrate;hydrochloride is sourced from PubChem (CID 19791604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).