7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid

C11H7NO4 — CID 90795773

IUPAC7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid
SMILESO=NC1C2=CC2(C(=O)O)Oc2ccccc21
InChIInChI=1S/C11H7NO4/c13-10(14)11-5-7(11)9(12-15)6-3-1-2-4-8(6)16-11/h1-5,9H,(H,13,14)
InChIKeyOVZVFHDKGFHOJA-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.65
Rot. Bonds2

About 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid

7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid (PubChem CID 90795773) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid.

Molecular Properties

Compound Name7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid
PubChem CID90795773
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid
SMILESO=NC1C2=CC2(C(=O)O)Oc2ccccc21
InChIInChI=1S/C11H7NO4/c13-10(14)11-5-7(11)9(12-15)6-3-1-2-4-8(6)16-11/h1-5,9H,(H,13,14)
InChIKeyOVZVFHDKGFHOJA-UHFFFAOYSA-N
XLogP1.65
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid?
The IUPAC name of 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid (CID 90795773) is 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid.
What is the SMILES notation for 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid?
The canonical SMILES for 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid is O=NC1C2=CC2(C(=O)O)Oc2ccccc21.
What is the InChIKey of 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid?
The InChIKey is OVZVFHDKGFHOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-10(14)11-5-7(11)9(12-15)6-3-1-2-4-8(6)16-11/h1-5,9H,(H,13,14).
What are the key properties of 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid?
7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid has a molecular weight of 217.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitroso-7H-cyclopropa[b]chromene-1a-carboxylic acid is sourced from PubChem (CID 90795773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).