(7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid

C11H7NO4 — CID 87656199

IUPAC(7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid
SMILESO=C(O)C12C=C1/C(=N\O)c1ccccc1O2
InChIInChI=1S/C11H7NO4/c13-10(14)11-5-7(11)9(12-15)6-3-1-2-4-8(6)16-11/h1-5,15H,(H,13,14)/b12-9-
InChIKeyDPLJQZFHBOUNBT-XFXZXTDPSA-N
MW217.18 g/mol
LogP1.02
Rot. Bonds1

About (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid

(7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid (PubChem CID 87656199) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid.

Molecular Properties

Compound Name(7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid
PubChem CID87656199
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name(7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid
SMILESO=C(O)C12C=C1/C(=N\O)c1ccccc1O2
InChIInChI=1S/C11H7NO4/c13-10(14)11-5-7(11)9(12-15)6-3-1-2-4-8(6)16-11/h1-5,15H,(H,13,14)/b12-9-
InChIKeyDPLJQZFHBOUNBT-XFXZXTDPSA-N
XLogP1.02
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid?
The IUPAC name of (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid (CID 87656199) is (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid.
What is the SMILES notation for (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid?
The canonical SMILES for (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid is O=C(O)C12C=C1/C(=N\O)c1ccccc1O2.
What is the InChIKey of (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid?
The InChIKey is DPLJQZFHBOUNBT-XFXZXTDPSA-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/h1-5,15H,(H,13,14)/b12-9-.
What are the key properties of (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid?
(7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid has a molecular weight of 217.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-hydroxyiminocyclopropa[b]chromene-1a-carboxylic acid is sourced from PubChem (CID 87656199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).