7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile

C10H7NO2 — CID 140556460

IUPAC7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile
SMILESN#CC12Oc3ccccc3CC1O2
InChIInChI=1S/C10H7NO2/c11-6-10-9(13-10)5-7-3-1-2-4-8(7)12-10/h1-4,9H,5H2
InChIKeyZDWGNRAANMFIAX-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.24
Rot. Bonds

About 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile

7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile (PubChem CID 140556460) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile.

Molecular Properties

Compound Name7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile
PubChem CID140556460
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile
SMILESN#CC12Oc3ccccc3CC1O2
InChIInChI=1S/C10H7NO2/c11-6-10-9(13-10)5-7-3-1-2-4-8(7)12-10/h1-4,9H,5H2
InChIKeyZDWGNRAANMFIAX-UHFFFAOYSA-N
XLogP1.24
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile?
The IUPAC name of 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile (CID 140556460) is 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile.
What is the SMILES notation for 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile?
The canonical SMILES for 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile is N#CC12Oc3ccccc3CC1O2.
What is the InChIKey of 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile?
The InChIKey is ZDWGNRAANMFIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c11-6-10-9(13-10)5-7-3-1-2-4-8(7)12-10/h1-4,9H,5H2.
What are the key properties of 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile?
7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile has a molecular weight of 173.17 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydrooxireno[2,3-b]chromene-1a-carbonitrile is sourced from PubChem (CID 140556460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).