2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile

C17H7N3O2 — CID 87216084

IUPAC2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile
SMILESN#CC(=C=C1c2ccccc2-c2cccc([N+](=O)[O-])c21)C#N
InChIInChI=1S/C17H7N3O2/c18-9-11(10-19)8-15-13-5-2-1-4-12(13)14-6-3-7-16(17(14)15)20(21)22/h1-7H
InChIKeyFOVNECYWOJFNOI-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.58
Rot. Bonds1

About 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile

2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile (PubChem CID 87216084) has the molecular formula C17H7N3O2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile
PubChem CID87216084
Molecular FormulaC17H7N3O2
Molecular Weight285.26 g/mol
Exact Mass285.05
IUPAC Name2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile
SMILESN#CC(=C=C1c2ccccc2-c2cccc([N+](=O)[O-])c21)C#N
InChIInChI=1S/C17H7N3O2/c18-9-11(10-19)8-15-13-5-2-1-4-12(13)14-6-3-7-16(17(14)15)20(21)22/h1-7H
InChIKeyFOVNECYWOJFNOI-UHFFFAOYSA-N
XLogP3.58
TPSA90.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;1-nitroanthracene-9,10-dione;sulfanide
CID 174790562
acetonitrile;1,2-dinitrobenzene
CID 174895848
1,8-dinitroanthracene-9,10-dione;ethanol
CID 159527606
1-(2-nitrophenyl)anthracene-9,10-dione
CID 624934
2-[4-(2-nitrophenyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608614
2-[1-(2,4,5,7-tetranitro-9H-fluoren-9-yl)fluoren-9-ylidene]propanedinitrile
CID 90708886
3-nitro-2-(2-propan-2-ylphenyl)phenol
CID 150628369
4-nitro-2-benzofuran-1,3-dione
CID 21631
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
cyano 2-nitrobenzoate
CID 154624336
4-nitroisoindole-1,3-dione
CID 11779
2-nitro-6-sulfanylbenzonitrile
CID 150896521

Frequently Asked Questions

What is the IUPAC name of 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile?
The IUPAC name of 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile (CID 87216084) is 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile?
The canonical SMILES for 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile is N#CC(=C=C1c2ccccc2-c2cccc([N+](=O)[O-])c21)C#N.
What is the InChIKey of 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile?
The InChIKey is FOVNECYWOJFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7N3O2/c18-9-11(10-19)8-15-13-5-2-1-4-12(13)14-6-3-7-16(17(14)15)20(21)22/h1-7H.
What are the key properties of 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile?
2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile has a molecular weight of 285.26 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-nitrofluoren-9-ylidene)methylidene]propanedinitrile is sourced from PubChem (CID 87216084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).