sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate

C10H9NaO2 — CID 23681635

IUPACsodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate
SMILESCC1Cc2cc([O-])ccc2C1=O.[Na+]
InChIInChI=1S/C10H10O2.Na/c1-6-4-7-5-8(11)2-3-9(7)10(6)12;/h2-3,5-6,11H,4H2,1H3;/q;+1/p-1
InChIKeyNQVUGZDKLBKIKR-UHFFFAOYSA-M
MW184.17 g/mol
LogP-1.86
Rot. Bonds

About sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate

sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate (PubChem CID 23681635) has the molecular formula C10H9NaO2 and a molecular weight of 184.17 g/mol. Its IUPAC name is sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate.

Molecular Properties

Compound Namesodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate
PubChem CID23681635
Molecular FormulaC10H9NaO2
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Namesodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate
SMILESCC1Cc2cc([O-])ccc2C1=O.[Na+]
InChIInChI=1S/C10H10O2.Na/c1-6-4-7-5-8(11)2-3-9(7)10(6)12;/h2-3,5-6,11H,4H2,1H3;/q;+1/p-1
InChIKeyNQVUGZDKLBKIKR-UHFFFAOYSA-M
XLogP-1.86
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate?
The IUPAC name of sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate (CID 23681635) is sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate.
What is the SMILES notation for sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate?
The canonical SMILES for sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate is CC1Cc2cc([O-])ccc2C1=O.[Na+].
What is the InChIKey of sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate?
The InChIKey is NQVUGZDKLBKIKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O2.Na/c1-6-4-7-5-8(11)2-3-9(7)10(6)12;/h2-3,5-6,11H,4H2,1H3;/q;+1/p-1.
What are the key properties of sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate?
sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate has a molecular weight of 184.17 g/mol, XLogP of -1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methyl-1-oxo-2,3-dihydroinden-5-olate is sourced from PubChem (CID 23681635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).