8-nitrospiro[chromene-2,9'-xanthene]

C21H13NO4 — CID 19084347

IUPAC8-nitrospiro[chromene-2,9'-xanthene]
SMILESO=[N+]([O-])c1cccc2c1OC1(C=C2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H13NO4/c23-22(24)17-9-5-6-14-12-13-21(26-20(14)17)15-7-1-3-10-18(15)25-19-11-4-2-8-16(19)21/h1-13H
InChIKeyLLBXFQFHCJCUEH-UHFFFAOYSA-N
MW343.34 g/mol
LogP5.05
Rot. Bonds1

About 8-nitrospiro[chromene-2,9'-xanthene]

8-nitrospiro[chromene-2,9'-xanthene] (PubChem CID 19084347) has the molecular formula C21H13NO4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 8-nitrospiro[chromene-2,9'-xanthene].

Molecular Properties

Compound Name8-nitrospiro[chromene-2,9'-xanthene]
PubChem CID19084347
Molecular FormulaC21H13NO4
Molecular Weight343.34 g/mol
Exact Mass343.08
IUPAC Name8-nitrospiro[chromene-2,9'-xanthene]
SMILESO=[N+]([O-])c1cccc2c1OC1(C=C2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H13NO4/c23-22(24)17-9-5-6-14-12-13-21(26-20(14)17)15-7-1-3-10-18(15)25-19-11-4-2-8-16(19)21/h1-13H
InChIKeyLLBXFQFHCJCUEH-UHFFFAOYSA-N
XLogP5.05
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.34
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
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10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole
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azanide;1,2-dinitrobenzene;platinum
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1-bromospiro[fluorene-9,9'-xanthene];(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)spiro[fluorene-9,9'-xanthene]
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Frequently Asked Questions

What is the IUPAC name of 8-nitrospiro[chromene-2,9'-xanthene]?
The IUPAC name of 8-nitrospiro[chromene-2,9'-xanthene] (CID 19084347) is 8-nitrospiro[chromene-2,9'-xanthene].
What is the SMILES notation for 8-nitrospiro[chromene-2,9'-xanthene]?
The canonical SMILES for 8-nitrospiro[chromene-2,9'-xanthene] is O=[N+]([O-])c1cccc2c1OC1(C=C2)c2ccccc2Oc2ccccc21.
What is the InChIKey of 8-nitrospiro[chromene-2,9'-xanthene]?
The InChIKey is LLBXFQFHCJCUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO4/c23-22(24)17-9-5-6-14-12-13-21(26-20(14)17)15-7-1-3-10-18(15)25-19-11-4-2-8-16(19)21/h1-13H.
What are the key properties of 8-nitrospiro[chromene-2,9'-xanthene]?
8-nitrospiro[chromene-2,9'-xanthene] has a molecular weight of 343.34 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitrospiro[chromene-2,9'-xanthene] is sourced from PubChem (CID 19084347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).