calcium;hydride;naphthalen-1-yl N-methylcarbamate

C12H13CaNO2 — CID 173073118

IUPACcalcium;hydride;naphthalen-1-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccccc12.[Ca+2].[H-].[H-]
InChIInChI=1S/C12H11NO2.Ca.2H/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11;;;/h2-8H,1H3,(H,13,14);;;/q;+2;2*-1
InChIKeyKVFQIMNXYJBILO-UHFFFAOYSA-N
MW243.32 g/mol
LogP2.40
Rot. Bonds1

About calcium;hydride;naphthalen-1-yl N-methylcarbamate

calcium;hydride;naphthalen-1-yl N-methylcarbamate (PubChem CID 173073118) has the molecular formula C12H13CaNO2 and a molecular weight of 243.32 g/mol. Its IUPAC name is calcium;hydride;naphthalen-1-yl N-methylcarbamate.

Molecular Properties

Compound Namecalcium;hydride;naphthalen-1-yl N-methylcarbamate
PubChem CID173073118
Molecular FormulaC12H13CaNO2
Molecular Weight243.32 g/mol
Exact Mass243.06
IUPAC Namecalcium;hydride;naphthalen-1-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccccc12.[Ca+2].[H-].[H-]
InChIInChI=1S/C12H11NO2.Ca.2H/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11;;;/h2-8H,1H3,(H,13,14);;;/q;+2;2*-1
InChIKeyKVFQIMNXYJBILO-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;naphthalen-1-yl N-methylcarbamate?
The IUPAC name of calcium;hydride;naphthalen-1-yl N-methylcarbamate (CID 173073118) is calcium;hydride;naphthalen-1-yl N-methylcarbamate.
What is the SMILES notation for calcium;hydride;naphthalen-1-yl N-methylcarbamate?
The canonical SMILES for calcium;hydride;naphthalen-1-yl N-methylcarbamate is CNC(=O)Oc1cccc2ccccc12.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;naphthalen-1-yl N-methylcarbamate?
The InChIKey is KVFQIMNXYJBILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.Ca.2H/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11;;;/h2-8H,1H3,(H,13,14);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;naphthalen-1-yl N-methylcarbamate?
calcium;hydride;naphthalen-1-yl N-methylcarbamate has a molecular weight of 243.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;naphthalen-1-yl N-methylcarbamate is sourced from PubChem (CID 173073118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).