5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one

C11H11NO3 — CID 12857252

IUPAC5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2ccc(O)c(CN)c12
InChIInChI=1S/C11H11NO3/c1-6-4-10(14)15-9-3-2-8(13)7(5-12)11(6)9/h2-4,13H,5,12H2,1H3
InChIKeyONTWTRUWFRDBFT-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.27
Rot. Bonds1

About 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one

5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one (PubChem CID 12857252) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one
PubChem CID12857252
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2ccc(O)c(CN)c12
InChIInChI=1S/C11H11NO3/c1-6-4-10(14)15-9-3-2-8(13)7(5-12)11(6)9/h2-4,13H,5,12H2,1H3
InChIKeyONTWTRUWFRDBFT-UHFFFAOYSA-N
XLogP1.27
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

5,6-diamino-7-hydroxy-4-methylchromen-2-one
CID 171843857
9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one
CID 139226524
5-hydroxy-4-methyl-6-propanoylchromen-2-one
CID 44721131
3-(aminomethyl)-4-bromo-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 59939081
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one
CID 59256597
1-(2-aminoethyl)-9-methyl-3H-pyrano[3,2-e]indol-7-one
CID 24994402
2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride
CID 87630650
2-(aminomethyl)-3-bromo-4-methylphenol
CID 84784553
2-[4-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]piperazin-1-yl]acetic acid
CID 138319844
5,7-dihydroxy-4-methyl-6-(3-methylbutanoyl)chromen-2-one
CID 86288870
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one
CID 5350076

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one?
The IUPAC name of 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one (CID 12857252) is 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2ccc(O)c(CN)c12.
What is the InChIKey of 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one?
The InChIKey is ONTWTRUWFRDBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-4-10(14)15-9-3-2-8(13)7(5-12)11(6)9/h2-4,13H,5,12H2,1H3.
What are the key properties of 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one?
5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 12857252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).