8-amino-2-methylchromen-4-one

C10H9NO2 — CID 147973217

IUPAC8-amino-2-methylchromen-4-one
SMILESCc1cc(=O)c2cccc(N)c2o1
InChIInChI=1S/C10H9NO2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,11H2,1H3
InChIKeyIRTLOTLJJZRMFY-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.68
Rot. Bonds

About 8-amino-2-methylchromen-4-one

8-amino-2-methylchromen-4-one (PubChem CID 147973217) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 8-amino-2-methylchromen-4-one.

Molecular Properties

Compound Name8-amino-2-methylchromen-4-one
PubChem CID147973217
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name8-amino-2-methylchromen-4-one
SMILESCc1cc(=O)c2cccc(N)c2o1
InChIInChI=1S/C10H9NO2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,11H2,1H3
InChIKeyIRTLOTLJJZRMFY-UHFFFAOYSA-N
XLogP1.68
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.68
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 8-amino-2-methylchromen-4-one?
The IUPAC name of 8-amino-2-methylchromen-4-one (CID 147973217) is 8-amino-2-methylchromen-4-one.
What is the SMILES notation for 8-amino-2-methylchromen-4-one?
The canonical SMILES for 8-amino-2-methylchromen-4-one is Cc1cc(=O)c2cccc(N)c2o1.
What is the InChIKey of 8-amino-2-methylchromen-4-one?
The InChIKey is IRTLOTLJJZRMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,11H2,1H3.
What are the key properties of 8-amino-2-methylchromen-4-one?
8-amino-2-methylchromen-4-one has a molecular weight of 175.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methylchromen-4-one is sourced from PubChem (CID 147973217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).