4-hydroxy-7-(methylamino)chromen-2-one

C10H9NO3 — CID 54690209

IUPAC4-hydroxy-7-(methylamino)chromen-2-one
SMILESCNc1ccc2c(O)cc(=O)oc2c1
InChIInChI=1S/C10H9NO3/c1-11-6-2-3-7-8(12)5-10(13)14-9(7)4-6/h2-5,11-12H,1H3
InChIKeyCNENYFNZJVPYST-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.54
Rot. Bonds1

About 4-hydroxy-7-(methylamino)chromen-2-one

4-hydroxy-7-(methylamino)chromen-2-one (PubChem CID 54690209) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-hydroxy-7-(methylamino)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-7-(methylamino)chromen-2-one
PubChem CID54690209
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-hydroxy-7-(methylamino)chromen-2-one
SMILESCNc1ccc2c(O)cc(=O)oc2c1
InChIInChI=1S/C10H9NO3/c1-11-6-2-3-7-8(12)5-10(13)14-9(7)4-6/h2-5,11-12H,1H3
InChIKeyCNENYFNZJVPYST-UHFFFAOYSA-N
XLogP1.54
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(methylamino)xanthen-9-one
CID 54135100
6-tert-butyl-4-hydroxychromen-2-one
CID 54694576
7-anilino-4-methylchromen-2-one
CID 804341
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
methyl 2-[(4-hydroxy-2-oxochromen-6-yl)amino]-2-oxoacetate
CID 88747657
6,7-dichloro-4-hydroxychromen-2-one
CID 54738246
3-(dimethylamino)-6-(methylamino)xanthen-9-one
CID 122490895
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
4-hydroxy-7-prop-2-enylchromen-2-one
CID 141309606
7-hydroxy-4-methylchromen-2-one;methanesulfonic acid
CID 88677960

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-(methylamino)chromen-2-one?
The IUPAC name of 4-hydroxy-7-(methylamino)chromen-2-one (CID 54690209) is 4-hydroxy-7-(methylamino)chromen-2-one.
What is the SMILES notation for 4-hydroxy-7-(methylamino)chromen-2-one?
The canonical SMILES for 4-hydroxy-7-(methylamino)chromen-2-one is CNc1ccc2c(O)cc(=O)oc2c1.
What is the InChIKey of 4-hydroxy-7-(methylamino)chromen-2-one?
The InChIKey is CNENYFNZJVPYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-11-6-2-3-7-8(12)5-10(13)14-9(7)4-6/h2-5,11-12H,1H3.
What are the key properties of 4-hydroxy-7-(methylamino)chromen-2-one?
4-hydroxy-7-(methylamino)chromen-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-(methylamino)chromen-2-one is sourced from PubChem (CID 54690209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).