6-aminochromen-4-one

C9H7NO2 — CID 19438826

IUPAC6-aminochromen-4-one
SMILESNc1ccc2occc(=O)c2c1
InChIInChI=1S/C9H7NO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,10H2
InChIKeyMBBFNMNVDPOREX-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.38
Rot. Bonds

About 6-aminochromen-4-one

6-aminochromen-4-one (PubChem CID 19438826) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-aminochromen-4-one.

Molecular Properties

Compound Name6-aminochromen-4-one
PubChem CID19438826
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name6-aminochromen-4-one
SMILESNc1ccc2occc(=O)c2c1
InChIInChI=1S/C9H7NO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,10H2
InChIKeyMBBFNMNVDPOREX-UHFFFAOYSA-N
XLogP1.38
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-aminochromen-4-one?
The IUPAC name of 6-aminochromen-4-one (CID 19438826) is 6-aminochromen-4-one.
What is the SMILES notation for 6-aminochromen-4-one?
The canonical SMILES for 6-aminochromen-4-one is Nc1ccc2occc(=O)c2c1.
What is the InChIKey of 6-aminochromen-4-one?
The InChIKey is MBBFNMNVDPOREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,10H2.
What are the key properties of 6-aminochromen-4-one?
6-aminochromen-4-one has a molecular weight of 161.16 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminochromen-4-one is sourced from PubChem (CID 19438826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).