2-(2,3,3-trimethylbutylidene)propanedinitrile

C10H14N2 — CID 15247712

IUPAC2-(2,3,3-trimethylbutylidene)propanedinitrile
SMILESCC(C=C(C#N)C#N)C(C)(C)C
InChIInChI=1S/C10H14N2/c1-8(10(2,3)4)5-9(6-11)7-12/h5,8H,1-4H3
InChIKeyHNYITFYLWOXWFF-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.64
Rot. Bonds1

About 2-(2,3,3-trimethylbutylidene)propanedinitrile

2-(2,3,3-trimethylbutylidene)propanedinitrile (PubChem CID 15247712) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-(2,3,3-trimethylbutylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2,3,3-trimethylbutylidene)propanedinitrile
PubChem CID15247712
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-(2,3,3-trimethylbutylidene)propanedinitrile
SMILESCC(C=C(C#N)C#N)C(C)(C)C
InChIInChI=1S/C10H14N2/c1-8(10(2,3)4)5-9(6-11)7-12/h5,8H,1-4H3
InChIKeyHNYITFYLWOXWFF-UHFFFAOYSA-N
XLogP2.64
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trimethylbutylidene)propanedinitrile?
The IUPAC name of 2-(2,3,3-trimethylbutylidene)propanedinitrile (CID 15247712) is 2-(2,3,3-trimethylbutylidene)propanedinitrile.
What is the SMILES notation for 2-(2,3,3-trimethylbutylidene)propanedinitrile?
The canonical SMILES for 2-(2,3,3-trimethylbutylidene)propanedinitrile is CC(C=C(C#N)C#N)C(C)(C)C.
What is the InChIKey of 2-(2,3,3-trimethylbutylidene)propanedinitrile?
The InChIKey is HNYITFYLWOXWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8(10(2,3)4)5-9(6-11)7-12/h5,8H,1-4H3.
What are the key properties of 2-(2,3,3-trimethylbutylidene)propanedinitrile?
2-(2,3,3-trimethylbutylidene)propanedinitrile has a molecular weight of 162.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trimethylbutylidene)propanedinitrile is sourced from PubChem (CID 15247712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).