chromene-2,2,3,3,4,4-hexacarbonitrile

C15H4N6O — CID 175193867

IUPACchromene-2,2,3,3,4,4-hexacarbonitrile
SMILESN#CC1(C#N)Oc2ccccc2C(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C15H4N6O/c16-5-13(6-17)11-3-1-2-4-12(11)22-15(9-20,10-21)14(13,7-18)8-19/h1-4H
InChIKeyFIOGZPSCGCYPOE-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.18
Rot. Bonds

About chromene-2,2,3,3,4,4-hexacarbonitrile

chromene-2,2,3,3,4,4-hexacarbonitrile (PubChem CID 175193867) has the molecular formula C15H4N6O and a molecular weight of 284.24 g/mol. Its IUPAC name is chromene-2,2,3,3,4,4-hexacarbonitrile.

Molecular Properties

Compound Namechromene-2,2,3,3,4,4-hexacarbonitrile
PubChem CID175193867
Molecular FormulaC15H4N6O
Molecular Weight284.24 g/mol
Exact Mass284.04
IUPAC Namechromene-2,2,3,3,4,4-hexacarbonitrile
SMILESN#CC1(C#N)Oc2ccccc2C(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C15H4N6O/c16-5-13(6-17)11-3-1-2-4-12(11)22-15(9-20,10-21)14(13,7-18)8-19/h1-4H
InChIKeyFIOGZPSCGCYPOE-UHFFFAOYSA-N
XLogP1.18
TPSA151.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chromene-2,2,3,3,4,4-hexacarbonitrile?
The IUPAC name of chromene-2,2,3,3,4,4-hexacarbonitrile (CID 175193867) is chromene-2,2,3,3,4,4-hexacarbonitrile.
What is the SMILES notation for chromene-2,2,3,3,4,4-hexacarbonitrile?
The canonical SMILES for chromene-2,2,3,3,4,4-hexacarbonitrile is N#CC1(C#N)Oc2ccccc2C(C#N)(C#N)C1(C#N)C#N.
What is the InChIKey of chromene-2,2,3,3,4,4-hexacarbonitrile?
The InChIKey is FIOGZPSCGCYPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4N6O/c16-5-13(6-17)11-3-1-2-4-12(11)22-15(9-20,10-21)14(13,7-18)8-19/h1-4H.
What are the key properties of chromene-2,2,3,3,4,4-hexacarbonitrile?
chromene-2,2,3,3,4,4-hexacarbonitrile has a molecular weight of 284.24 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chromene-2,2,3,3,4,4-hexacarbonitrile is sourced from PubChem (CID 175193867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).