sodium;hydride;7-hydroxy-4-methylchromen-2-one

C10H9NaO3 — CID 172995509

IUPACsodium;hydride;7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)ccc12.[H-].[Na+]
InChIInChI=1S/C10H8O3.Na.H/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;;/h2-5,11H,1H3;;/q;+1;-1
InChIKeyUTRZBPSWWMKRGB-UHFFFAOYSA-N
MW200.17 g/mol
LogP-1.08
Rot. Bonds

About sodium;hydride;7-hydroxy-4-methylchromen-2-one

sodium;hydride;7-hydroxy-4-methylchromen-2-one (PubChem CID 172995509) has the molecular formula C10H9NaO3 and a molecular weight of 200.17 g/mol. Its IUPAC name is sodium;hydride;7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Namesodium;hydride;7-hydroxy-4-methylchromen-2-one
PubChem CID172995509
Molecular FormulaC10H9NaO3
Molecular Weight200.17 g/mol
Exact Mass200.04
IUPAC Namesodium;hydride;7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)ccc12.[H-].[Na+]
InChIInChI=1S/C10H8O3.Na.H/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;;/h2-5,11H,1H3;;/q;+1;-1
InChIKeyUTRZBPSWWMKRGB-UHFFFAOYSA-N
XLogP-1.08
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-4-methylchromen-2-one;sulfuric acid
CID 87147508
7-hydroxy-4-methylchromen-2-one;methanesulfonic acid
CID 88677960
ethene-1,1,2,2-tetracarbonitrile;7-hydroxy-4-methylchromen-2-one
CID 18475292
7-hydroxy-4-methylchromen-2-one;prop-2-enoic acid
CID 87246461
4-amino-7-hydroxychromen-2-one
CID 5403605
CID 89064299
CID 89064299
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-ethyl-4-methylchromen-2-one
CID 5160585
4-methyl-7-nitrosochromen-2-one
CID 122373464
2-[(2-amino-3-sulfanylpropanoyl)amino]acetic acid;7-hydroxy-4-methylchromen-2-one
CID 174709823
diethyl-(7-hydroxy-4-methylchromen-2-ylidene)azanium
CID 12748904
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;7-hydroxy-4-methylchromen-2-one?
The IUPAC name of sodium;hydride;7-hydroxy-4-methylchromen-2-one (CID 172995509) is sodium;hydride;7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for sodium;hydride;7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for sodium;hydride;7-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(O)ccc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;7-hydroxy-4-methylchromen-2-one?
The InChIKey is UTRZBPSWWMKRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3.Na.H/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;;/h2-5,11H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;7-hydroxy-4-methylchromen-2-one?
sodium;hydride;7-hydroxy-4-methylchromen-2-one has a molecular weight of 200.17 g/mol, XLogP of -1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 172995509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).