calcium;hydride;N-hydroxybenzamide

C7H9CaNO2 — CID 175061214

IUPACcalcium;hydride;N-hydroxybenzamide
SMILESO=C(NO)c1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H7NO2.Ca.2H/c9-7(8-10)6-4-2-1-3-5-6;;;/h1-5,10H,(H,8,9);;;/q;+2;2*-1
InChIKeyJXDIETRZPLQKQL-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.65
Rot. Bonds1

About calcium;hydride;N-hydroxybenzamide

calcium;hydride;N-hydroxybenzamide (PubChem CID 175061214) has the molecular formula C7H9CaNO2 and a molecular weight of 179.23 g/mol. Its IUPAC name is calcium;hydride;N-hydroxybenzamide.

Molecular Properties

Compound Namecalcium;hydride;N-hydroxybenzamide
PubChem CID175061214
Molecular FormulaC7H9CaNO2
Molecular Weight179.23 g/mol
Exact Mass179.03
IUPAC Namecalcium;hydride;N-hydroxybenzamide
SMILESO=C(NO)c1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H7NO2.Ca.2H/c9-7(8-10)6-4-2-1-3-5-6;;;/h1-5,10H,(H,8,9);;;/q;+2;2*-1
InChIKeyJXDIETRZPLQKQL-UHFFFAOYSA-N
XLogP0.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxybenzamide;nickel
CID 88846751
benzohydrazide;molybdenum
CID 162076561
lithium;hydride;N-methylbenzamide
CID 173287348
4-(3,5-dibenzamidophenyl)-N-hydroxybenzamide
CID 10238468
N-methylbenzamide
CID 11954
CID 70387554
CID 70387554
(2S,6R)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine;N-hydroxybenzamide
CID 159131728
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
4-chloro-N-hydroxybenzamide
CID 587178
N-tribenzamidosilylbenzamide
CID 175170799
lead(2+);bis(N-oxidobenzamide)
CID 174994108
N',N'-dibenzamidobenzohydrazide
CID 91211036

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;N-hydroxybenzamide?
The IUPAC name of calcium;hydride;N-hydroxybenzamide (CID 175061214) is calcium;hydride;N-hydroxybenzamide.
What is the SMILES notation for calcium;hydride;N-hydroxybenzamide?
The canonical SMILES for calcium;hydride;N-hydroxybenzamide is O=C(NO)c1ccccc1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;N-hydroxybenzamide?
The InChIKey is JXDIETRZPLQKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.Ca.2H/c9-7(8-10)6-4-2-1-3-5-6;;;/h1-5,10H,(H,8,9);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;N-hydroxybenzamide?
calcium;hydride;N-hydroxybenzamide has a molecular weight of 179.23 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;N-hydroxybenzamide is sourced from PubChem (CID 175061214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).