calcium;hydride;1H-indol-3-yl formate;hydrochloride

C9H10CaClNO2 — CID 175504569

IUPACcalcium;hydride;1H-indol-3-yl formate;hydrochloride
SMILESCl.O=COc1c[nH]c2ccccc12.[Ca+2].[H-].[H-]
InChIInChI=1S/C9H7NO2.Ca.ClH.2H/c11-6-12-9-5-10-8-4-2-1-3-7(8)9;;;;/h1-6,10H;;1H;;/q;+2;;2*-1
InChIKeyWGVFDTSALWVNGR-UHFFFAOYSA-N
MW239.72 g/mol
LogP1.97
Rot. Bonds2

About calcium;hydride;1H-indol-3-yl formate;hydrochloride

calcium;hydride;1H-indol-3-yl formate;hydrochloride (PubChem CID 175504569) has the molecular formula C9H10CaClNO2 and a molecular weight of 239.72 g/mol. Its IUPAC name is calcium;hydride;1H-indol-3-yl formate;hydrochloride.

Molecular Properties

Compound Namecalcium;hydride;1H-indol-3-yl formate;hydrochloride
PubChem CID175504569
Molecular FormulaC9H10CaClNO2
Molecular Weight239.72 g/mol
Exact Mass239.00
IUPAC Namecalcium;hydride;1H-indol-3-yl formate;hydrochloride
SMILESCl.O=COc1c[nH]c2ccccc12.[Ca+2].[H-].[H-]
InChIInChI=1S/C9H7NO2.Ca.ClH.2H/c11-6-12-9-5-10-8-4-2-1-3-7(8)9;;;;/h1-6,10H;;1H;;/q;+2;;2*-1
InChIKeyWGVFDTSALWVNGR-UHFFFAOYSA-N
XLogP1.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-(benzenesulfonyl)-1H-indol-3-yl] formate
CID 174464027
1H-pyrrolo[2,3-b]pyridin-3-yl formate
CID 57163255
(4-chloro-1H-indol-3-yl) formate
CID 175242708
3-methylperoxy-1H-indole
CID 21122990
N-(1H-indol-3-yl)-N-sulfanylformamide
CID 174315723
CID 174586583
CID 174586583
1H-indol-3-yloxymethanol
CID 169101748
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
1H-indol-3-yloxy hydrogen sulfate
CID 141479579
disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate
CID 16666794
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
ethyl formate;3-methyl-1H-indole
CID 174567776

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;1H-indol-3-yl formate;hydrochloride?
The IUPAC name of calcium;hydride;1H-indol-3-yl formate;hydrochloride (CID 175504569) is calcium;hydride;1H-indol-3-yl formate;hydrochloride.
What is the SMILES notation for calcium;hydride;1H-indol-3-yl formate;hydrochloride?
The canonical SMILES for calcium;hydride;1H-indol-3-yl formate;hydrochloride is Cl.O=COc1c[nH]c2ccccc12.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;1H-indol-3-yl formate;hydrochloride?
The InChIKey is WGVFDTSALWVNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.Ca.ClH.2H/c11-6-12-9-5-10-8-4-2-1-3-7(8)9;;;;/h1-6,10H;;1H;;/q;+2;;2*-1.
What are the key properties of calcium;hydride;1H-indol-3-yl formate;hydrochloride?
calcium;hydride;1H-indol-3-yl formate;hydrochloride has a molecular weight of 239.72 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;1H-indol-3-yl formate;hydrochloride is sourced from PubChem (CID 175504569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).