7-methoxy-6-nitrochromen-2-one

C10H7NO5 — CID 10656586

IUPAC7-methoxy-6-nitrochromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1[N+](=O)[O-]
InChIInChI=1S/C10H7NO5/c1-15-9-5-8-6(2-3-10(12)16-8)4-7(9)11(13)14/h2-5H,1H3
InChIKeyTWBJFVUQEIIMRL-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.71
Rot. Bonds2

About 7-methoxy-6-nitrochromen-2-one

7-methoxy-6-nitrochromen-2-one (PubChem CID 10656586) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is 7-methoxy-6-nitrochromen-2-one.

Molecular Properties

Compound Name7-methoxy-6-nitrochromen-2-one
PubChem CID10656586
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Name7-methoxy-6-nitrochromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1[N+](=O)[O-]
InChIInChI=1S/C10H7NO5/c1-15-9-5-8-6(2-3-10(12)16-8)4-7(9)11(13)14/h2-5H,1H3
InChIKeyTWBJFVUQEIIMRL-UHFFFAOYSA-N
XLogP1.71
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-nitrochromen-2-one?
The IUPAC name of 7-methoxy-6-nitrochromen-2-one (CID 10656586) is 7-methoxy-6-nitrochromen-2-one.
What is the SMILES notation for 7-methoxy-6-nitrochromen-2-one?
The canonical SMILES for 7-methoxy-6-nitrochromen-2-one is COc1cc2oc(=O)ccc2cc1[N+](=O)[O-].
What is the InChIKey of 7-methoxy-6-nitrochromen-2-one?
The InChIKey is TWBJFVUQEIIMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5/c1-15-9-5-8-6(2-3-10(12)16-8)4-7(9)11(13)14/h2-5H,1H3.
What are the key properties of 7-methoxy-6-nitrochromen-2-one?
7-methoxy-6-nitrochromen-2-one has a molecular weight of 221.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-nitrochromen-2-one is sourced from PubChem (CID 10656586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).