formamide;dihydrochloride

CH5Cl2NO — CID 22397279

IUPACformamide;dihydrochloride
SMILESCl.Cl.NC=O
InChIInChI=1S/CH3NO.2ClH/c2-1-3;;/h1H,(H2,2,3);2*1H
InChIKeyNSBWHQUKWQCNFU-UHFFFAOYSA-N
MW117.96 g/mol
LogP-0.05
Rot. Bonds

About formamide;dihydrochloride

formamide;dihydrochloride (PubChem CID 22397279) has the molecular formula CH5Cl2NO and a molecular weight of 117.96 g/mol. Its IUPAC name is formamide;dihydrochloride.

Molecular Properties

Compound Nameformamide;dihydrochloride
PubChem CID22397279
Molecular FormulaCH5Cl2NO
Molecular Weight117.96 g/mol
Exact Mass116.97
IUPAC Nameformamide;dihydrochloride
SMILESCl.Cl.NC=O
InChIInChI=1S/CH3NO.2ClH/c2-1-3;;/h1H,(H2,2,3);2*1H
InChIKeyNSBWHQUKWQCNFU-UHFFFAOYSA-N
XLogP-0.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.96
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamide;dihydrochloride?
The IUPAC name of formamide;dihydrochloride (CID 22397279) is formamide;dihydrochloride.
What is the SMILES notation for formamide;dihydrochloride?
The canonical SMILES for formamide;dihydrochloride is Cl.Cl.NC=O.
What is the InChIKey of formamide;dihydrochloride?
The InChIKey is NSBWHQUKWQCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO.2ClH/c2-1-3;;/h1H,(H2,2,3);2*1H.
What are the key properties of formamide;dihydrochloride?
formamide;dihydrochloride has a molecular weight of 117.96 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;dihydrochloride is sourced from PubChem (CID 22397279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).