barium(2+);N,N-dimethylformamide;hydride;hydrate

C3H11BaNO2 — CID 174779878

IUPACbarium(2+);N,N-dimethylformamide;hydride;hydrate
SMILESCN(C)C=O.O.[Ba+2].[H-].[H-]
InChIInChI=1S/C3H7NO.Ba.H2O.2H/c1-4(2)3-5;;;;/h3H,1-2H3;;1H2;;/q;+2;;2*-1
InChIKeyNMVQIPQITJHUQC-UHFFFAOYSA-N
MW230.45 g/mol
LogP-1.28
Rot. Bonds1

About barium(2+);N,N-dimethylformamide;hydride;hydrate

barium(2+);N,N-dimethylformamide;hydride;hydrate (PubChem CID 174779878) has the molecular formula C3H11BaNO2 and a molecular weight of 230.45 g/mol. Its IUPAC name is barium(2+);N,N-dimethylformamide;hydride;hydrate.

Molecular Properties

Compound Namebarium(2+);N,N-dimethylformamide;hydride;hydrate
PubChem CID174779878
Molecular FormulaC3H11BaNO2
Molecular Weight230.45 g/mol
Exact Mass230.98
IUPAC Namebarium(2+);N,N-dimethylformamide;hydride;hydrate
SMILESCN(C)C=O.O.[Ba+2].[H-].[H-]
InChIInChI=1S/C3H7NO.Ba.H2O.2H/c1-4(2)3-5;;;;/h3H,1-2H3;;1H2;;/q;+2;;2*-1
InChIKeyNMVQIPQITJHUQC-UHFFFAOYSA-N
XLogP-1.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.45
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
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 barium(2+);N,N-dimethylformamide;hydride;hydrate?
The IUPAC name of barium(2+);N,N-dimethylformamide;hydride;hydrate (CID 174779878) is barium(2+);N,N-dimethylformamide;hydride;hydrate.
What is the SMILES notation for barium(2+);N,N-dimethylformamide;hydride;hydrate?
The canonical SMILES for barium(2+);N,N-dimethylformamide;hydride;hydrate is CN(C)C=O.O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);N,N-dimethylformamide;hydride;hydrate?
The InChIKey is NMVQIPQITJHUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.Ba.H2O.2H/c1-4(2)3-5;;;;/h3H,1-2H3;;1H2;;/q;+2;;2*-1.
What are the key properties of barium(2+);N,N-dimethylformamide;hydride;hydrate?
barium(2+);N,N-dimethylformamide;hydride;hydrate has a molecular weight of 230.45 g/mol, XLogP of -1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);N,N-dimethylformamide;hydride;hydrate is sourced from PubChem (CID 174779878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).