6-(aminomethyl)chromen-2-one

C10H9NO2 — CID 45485270

IUPAC6-(aminomethyl)chromen-2-one
SMILESNCc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C10H9NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6,11H2
InChIKeyMXXNUQUOHJMQEU-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.25
Rot. Bonds1

About 6-(aminomethyl)chromen-2-one

6-(aminomethyl)chromen-2-one (PubChem CID 45485270) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-(aminomethyl)chromen-2-one.

Molecular Properties

Compound Name6-(aminomethyl)chromen-2-one
PubChem CID45485270
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name6-(aminomethyl)chromen-2-one
SMILESNCc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C10H9NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6,11H2
InChIKeyMXXNUQUOHJMQEU-UHFFFAOYSA-N
XLogP1.25
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.25
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

6-Methylcoumarin
CID 7092
4-Aminocoumarin
CID 820807
Coumarin, 3,4-diamino-
CID 38046
4,6-Dimethyl-2-benzopyrone
CID 84153
6-Cyanocoumarin
CID 6430516
7-Methoxy-4-(aminomethyl)coumarin
CID 8758226
4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one
CID 664492
Phenyl 6-(aminomethyl)-2-oxochromene-3-carboxylate;hydrochloride
CID 18313733
[4-(Aminomethyl)phenyl] 2-phenylacetate
CID 155535056
2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride
CID 57358
2H-1-Benzopyran-2-one, 4-(aminomethyl)-7-methyl-, hydrochloride
CID 57360
Chromone, 6-(aminomethyl)-2,3-dimethyl-, monohydrochloride
CID 3063431

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)chromen-2-one?
The IUPAC name of 6-(aminomethyl)chromen-2-one (CID 45485270) is 6-(aminomethyl)chromen-2-one.
What is the SMILES notation for 6-(aminomethyl)chromen-2-one?
The canonical SMILES for 6-(aminomethyl)chromen-2-one is NCc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 6-(aminomethyl)chromen-2-one?
The InChIKey is MXXNUQUOHJMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6,11H2.
What are the key properties of 6-(aminomethyl)chromen-2-one?
6-(aminomethyl)chromen-2-one has a molecular weight of 175.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)chromen-2-one is sourced from PubChem (CID 45485270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).