6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one

C13H13NO2 — CID 102501424

IUPAC6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one
SMILESNc1cc2oc(=O)ccc2c2c1CCCC2
InChIInChI=1S/C13H13NO2/c14-11-7-12-10(5-6-13(15)16-12)8-3-1-2-4-9(8)11/h5-7H,1-4,14H2
InChIKeyGPMSZCHWBYMAQO-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.25
Rot. Bonds

About 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one

6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one (PubChem CID 102501424) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one
PubChem CID102501424
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one
SMILESNc1cc2oc(=O)ccc2c2c1CCCC2
InChIInChI=1S/C13H13NO2/c14-11-7-12-10(5-6-13(15)16-12)8-3-1-2-4-9(8)11/h5-7H,1-4,14H2
InChIKeyGPMSZCHWBYMAQO-UHFFFAOYSA-N
XLogP2.25
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Amino-4-methylcoumarin
CID 92249
7-Aminocoumarin
CID 189055
7-(Dimethylamino)-6-phenylchromen-2-one
CID 56594348
9-Methoxytariacuripyrone
CID 71592252
6-(3-Aminophenyl)-5,7-dimethyl-4-phenylchromen-2-one
CID 6540212
7-Amino-4-fluoromethyl coumarin
CID 18926700
5-Amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one
CID 71598409
7-Amino-4-methylcoumarin hydrochloride
CID 17976301
7-Amino-4-ethylchromen-2-one
CID 20348825
7-Amino-3-methyl-2H-chromen-2-one
CID 23502005
7-Amino-5-(trifluoromethyl)chromen-2-one
CID 21709836
2H-1-Benzopyran-2-one, 5-amino-
CID 54092405

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one?
The IUPAC name of 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one (CID 102501424) is 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one.
What is the SMILES notation for 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one?
The canonical SMILES for 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one is Nc1cc2oc(=O)ccc2c2c1CCCC2.
What is the InChIKey of 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one?
The InChIKey is GPMSZCHWBYMAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c14-11-7-12-10(5-6-13(15)16-12)8-3-1-2-4-9(8)11/h5-7H,1-4,14H2.
What are the key properties of 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one?
6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one has a molecular weight of 215.25 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,8,9,10-tetrahydrobenzo[f]chromen-3-one is sourced from PubChem (CID 102501424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).