4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one

C12H11NO3 — CID 136698388

IUPAC4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one
SMILESC/N=C/c1c(O)c2cc(C)ccc2oc1=O
InChIInChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(6-13-2)12(15)16-10/h3-6,14H,1-2H3/b13-6+
InChIKeyVZPWFDORDNBREL-AWNIVKPZSA-N
MW217.22 g/mol
LogP1.86
Rot. Bonds1

About 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one

4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one (PubChem CID 136698388) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one
PubChem CID136698388
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one
SMILESC/N=C/c1c(O)c2cc(C)ccc2oc1=O
InChIInChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(6-13-2)12(15)16-10/h3-6,14H,1-2H3/b13-6+
InChIKeyVZPWFDORDNBREL-AWNIVKPZSA-N
XLogP1.86
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-dimethylphenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135460522
13-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-6,20-dimethyl-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
CID 54716867
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
CID 14631583
2-hydroxyethyl 2,2-bis(4-hydroxy-6-methyl-2-oxochromen-3-yl)acetate
CID 59746837
3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-4-hydroxy-6-methylchromen-2-one
CID 137306635
3-[(3-fluoro-4-methylphenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135485045
actinium;8-methyldibenzofuran-2-ol
CID 18739071
2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 54680617
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
4-hydroxy-3-[(E)-(6-methyl-2-pyridinyl)iminomethyl]chromen-2-one
CID 135415446
3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione
CID 155521439

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one (CID 136698388) is 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one is C/N=C/c1c(O)c2cc(C)ccc2oc1=O.
What is the InChIKey of 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one?
The InChIKey is VZPWFDORDNBREL-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(6-13-2)12(15)16-10/h3-6,14H,1-2H3/b13-6+.
What are the key properties of 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one?
4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one is sourced from PubChem (CID 136698388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).