sodium;hydride;methyl naphthalene-1-carboxylate

C12H11NaO2 — CID 173423630

IUPACsodium;hydride;methyl naphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C12H10O2.Na.H/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11;;/h2-8H,1H3;;/q;+1;-1
InChIKeyMFPZWAALXBKVLE-UHFFFAOYSA-N
MW210.21 g/mol
LogP-0.26
Rot. Bonds1

About sodium;hydride;methyl naphthalene-1-carboxylate

sodium;hydride;methyl naphthalene-1-carboxylate (PubChem CID 173423630) has the molecular formula C12H11NaO2 and a molecular weight of 210.21 g/mol. Its IUPAC name is sodium;hydride;methyl naphthalene-1-carboxylate.

Molecular Properties

Compound Namesodium;hydride;methyl naphthalene-1-carboxylate
PubChem CID173423630
Molecular FormulaC12H11NaO2
Molecular Weight210.21 g/mol
Exact Mass210.07
IUPAC Namesodium;hydride;methyl naphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C12H10O2.Na.H/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11;;/h2-8H,1H3;;/q;+1;-1
InChIKeyMFPZWAALXBKVLE-UHFFFAOYSA-N
XLogP-0.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate
CID 19972770
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
bromo naphthalene-1-carboxylate
CID 68796403
methyl 2H-isoindole-4-carboxylate
CID 71773027
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methyl naphthalene-1-carboxylate?
The IUPAC name of sodium;hydride;methyl naphthalene-1-carboxylate (CID 173423630) is sodium;hydride;methyl naphthalene-1-carboxylate.
What is the SMILES notation for sodium;hydride;methyl naphthalene-1-carboxylate?
The canonical SMILES for sodium;hydride;methyl naphthalene-1-carboxylate is COC(=O)c1cccc2ccccc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;methyl naphthalene-1-carboxylate?
The InChIKey is MFPZWAALXBKVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.Na.H/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11;;/h2-8H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;methyl naphthalene-1-carboxylate?
sodium;hydride;methyl naphthalene-1-carboxylate has a molecular weight of 210.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methyl naphthalene-1-carboxylate is sourced from PubChem (CID 173423630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).