7-azidochromen-2-one

C9H5N3O2 — CID 91542380

IUPAC7-azidochromen-2-one
SMILES[N-]=[N+]=Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C9H5N3O2/c10-12-11-7-3-1-6-2-4-9(13)14-8(6)5-7/h1-5H
InChIKeyJASZVBDNVHFEOA-UHFFFAOYSA-N
MW187.16 g/mol
LogP2.73
Rot. Bonds1

About 7-azidochromen-2-one

7-azidochromen-2-one (PubChem CID 91542380) has the molecular formula C9H5N3O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 7-azidochromen-2-one.

Molecular Properties

Compound Name7-azidochromen-2-one
PubChem CID91542380
Molecular FormulaC9H5N3O2
Molecular Weight187.16 g/mol
Exact Mass187.04
IUPAC Name7-azidochromen-2-one
SMILES[N-]=[N+]=Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C9H5N3O2/c10-12-11-7-3-1-6-2-4-9(13)14-8(6)5-7/h1-5H
InChIKeyJASZVBDNVHFEOA-UHFFFAOYSA-N
XLogP2.73
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.73
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': 'cumarine', '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 7-azidochromen-2-one?
The IUPAC name of 7-azidochromen-2-one (CID 91542380) is 7-azidochromen-2-one.
What is the SMILES notation for 7-azidochromen-2-one?
The canonical SMILES for 7-azidochromen-2-one is [N-]=[N+]=Nc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-azidochromen-2-one?
The InChIKey is JASZVBDNVHFEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2/c10-12-11-7-3-1-6-2-4-9(13)14-8(6)5-7/h1-5H.
What are the key properties of 7-azidochromen-2-one?
7-azidochromen-2-one has a molecular weight of 187.16 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azidochromen-2-one is sourced from PubChem (CID 91542380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).