7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide

C17H12N2O3 — CID 87397190

IUPAC7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide
SMILESO=C(Nc1ccccc1)C12C=C1C(=NO)c1ccccc1O2
InChIInChI=1S/C17H12N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-10,21H,(H,18,20)
InChIKeyJEVOHVSEDXBGND-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.57
Rot. Bonds2

About 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide

7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide (PubChem CID 87397190) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide.

Molecular Properties

Compound Name7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide
PubChem CID87397190
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide
SMILESO=C(Nc1ccccc1)C12C=C1C(=NO)c1ccccc1O2
InChIInChI=1S/C17H12N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-10,21H,(H,18,20)
InChIKeyJEVOHVSEDXBGND-UHFFFAOYSA-N
XLogP2.57
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.57
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 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide?
The IUPAC name of 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide (CID 87397190) is 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide.
What is the SMILES notation for 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide?
The canonical SMILES for 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide is O=C(Nc1ccccc1)C12C=C1C(=NO)c1ccccc1O2.
What is the InChIKey of 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide?
The InChIKey is JEVOHVSEDXBGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-10,21H,(H,18,20).
What are the key properties of 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide?
7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide is sourced from PubChem (CID 87397190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).