(2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile

C9H8N2 — CID 5382241

IUPAC(2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile
SMILESN#CC/C(C#N)=C1/C=CCC1
InChIInChI=1S/C9H8N2/c10-6-5-9(7-11)8-3-1-2-4-8/h1,3H,2,4-5H2/b9-8+
InChIKeyWTRWLAGGIWBMFF-CMDGGOBGSA-N
MW144.18 g/mol
LogP2.07
Rot. Bonds1

About (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile

(2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile (PubChem CID 5382241) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile.

Molecular Properties

Compound Name(2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile
PubChem CID5382241
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name(2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile
SMILESN#CC/C(C#N)=C1/C=CCC1
InChIInChI=1S/C9H8N2/c10-6-5-9(7-11)8-3-1-2-4-8/h1,3H,2,4-5H2/b9-8+
InChIKeyWTRWLAGGIWBMFF-CMDGGOBGSA-N
XLogP2.07
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.07
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 (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile?
The IUPAC name of (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile (CID 5382241) is (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile.
What is the SMILES notation for (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile?
The canonical SMILES for (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile is N#CC/C(C#N)=C1/C=CCC1.
What is the InChIKey of (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile?
The InChIKey is WTRWLAGGIWBMFF-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H8N2/c10-6-5-9(7-11)8-3-1-2-4-8/h1,3H,2,4-5H2/b9-8+.
What are the key properties of (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile?
(2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile has a molecular weight of 144.18 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyclopent-2-en-1-ylidenebutanedinitrile is sourced from PubChem (CID 5382241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).