7-amino-3-methylchromen-2-one

C10H9NO2 — CID 23502005

IUPAC7-amino-3-methylchromen-2-one
SMILESCc1cc2ccc(N)cc2oc1=O
InChIInChI=1S/C10H9NO2/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)12/h2-5H,11H2,1H3
InChIKeyHRNOIAOFVVUYJU-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.68
Rot. Bonds

About 7-amino-3-methylchromen-2-one

7-amino-3-methylchromen-2-one (PubChem CID 23502005) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 7-amino-3-methylchromen-2-one.

Molecular Properties

Compound Name7-amino-3-methylchromen-2-one
PubChem CID23502005
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name7-amino-3-methylchromen-2-one
SMILESCc1cc2ccc(N)cc2oc1=O
InChIInChI=1S/C10H9NO2/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)12/h2-5H,11H2,1H3
InChIKeyHRNOIAOFVVUYJU-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'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methylchromen-2-one?
The IUPAC name of 7-amino-3-methylchromen-2-one (CID 23502005) is 7-amino-3-methylchromen-2-one.
What is the SMILES notation for 7-amino-3-methylchromen-2-one?
The canonical SMILES for 7-amino-3-methylchromen-2-one is Cc1cc2ccc(N)cc2oc1=O.
What is the InChIKey of 7-amino-3-methylchromen-2-one?
The InChIKey is HRNOIAOFVVUYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)12/h2-5H,11H2,1H3.
What are the key properties of 7-amino-3-methylchromen-2-one?
7-amino-3-methylchromen-2-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 7-amino-3-methylchromen-2-one is sourced from PubChem (CID 23502005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).