3-azido-6-methyl-2,3-dihydrochromen-4-one

C10H9N3O2 — CID 11030906

IUPAC3-azido-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(N=[N+]=[N-])CO2
InChIInChI=1S/C10H9N3O2/c1-6-2-3-9-7(4-6)10(14)8(5-15-9)12-13-11/h2-4,8H,5H2,1H3
InChIKeyRFXUQQYEGOBPPD-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.25
Rot. Bonds1

About 3-azido-6-methyl-2,3-dihydrochromen-4-one

3-azido-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 11030906) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-azido-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-azido-6-methyl-2,3-dihydrochromen-4-one
PubChem CID11030906
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-azido-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(N=[N+]=[N-])CO2
InChIInChI=1S/C10H9N3O2/c1-6-2-3-9-7(4-6)10(14)8(5-15-9)12-13-11/h2-4,8H,5H2,1H3
InChIKeyRFXUQQYEGOBPPD-UHFFFAOYSA-N
XLogP2.25
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-azido-6-methyl-2,3-dihydrochromen-4-one (CID 11030906) is 3-azido-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-azido-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-azido-6-methyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)C(N=[N+]=[N-])CO2.
What is the InChIKey of 3-azido-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is RFXUQQYEGOBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-2-3-9-7(4-6)10(14)8(5-15-9)12-13-11/h2-4,8H,5H2,1H3.
What are the key properties of 3-azido-6-methyl-2,3-dihydrochromen-4-one?
3-azido-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 203.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11030906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).