3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile

C15H11N5 — CID 4614196

IUPAC3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile
SMILESCN(C)c1cccc(C2C(C#N)(C#N)C2(C#N)C#N)c1
InChIInChI=1S/C15H11N5/c1-20(2)12-5-3-4-11(6-12)13-14(7-16,8-17)15(13,9-18)10-19/h3-6,13H,1-2H3
InChIKeyDVMHHJXWSRGAFL-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.92
Rot. Bonds2

About 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile

3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile (PubChem CID 4614196) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile
PubChem CID4614196
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile
SMILESCN(C)c1cccc(C2C(C#N)(C#N)C2(C#N)C#N)c1
InChIInChI=1S/C15H11N5/c1-20(2)12-5-3-4-11(6-12)13-14(7-16,8-17)15(13,9-18)10-19/h3-6,13H,1-2H3
InChIKeyDVMHHJXWSRGAFL-UHFFFAOYSA-N
XLogP1.92
TPSA98.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile?
The IUPAC name of 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile (CID 4614196) is 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile is CN(C)c1cccc(C2C(C#N)(C#N)C2(C#N)C#N)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile?
The InChIKey is DVMHHJXWSRGAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-20(2)12-5-3-4-11(6-12)13-14(7-16,8-17)15(13,9-18)10-19/h3-6,13H,1-2H3.
What are the key properties of 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile?
3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile has a molecular weight of 261.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile is sourced from PubChem (CID 4614196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).