4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile

C8H10N2 — CID 45087586

IUPAC4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile
SMILESCN(C)C1=CC=C(C#N)C1
InChIInChI=1S/C8H10N2/c1-10(2)8-4-3-7(5-8)6-9/h3-4H,5H2,1-2H3
InChIKeyVAHGAPZSUJMMQM-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.29
Rot. Bonds1

About 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile

4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile (PubChem CID 45087586) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile
PubChem CID45087586
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile
SMILESCN(C)C1=CC=C(C#N)C1
InChIInChI=1S/C8H10N2/c1-10(2)8-4-3-7(5-8)6-9/h3-4H,5H2,1-2H3
InChIKeyVAHGAPZSUJMMQM-UHFFFAOYSA-N
XLogP1.29
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile?
The IUPAC name of 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile (CID 45087586) is 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile?
The canonical SMILES for 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile is CN(C)C1=CC=C(C#N)C1.
What is the InChIKey of 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile?
The InChIKey is VAHGAPZSUJMMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-10(2)8-4-3-7(5-8)6-9/h3-4H,5H2,1-2H3.
What are the key properties of 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile?
4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)cyclopenta-1,3-diene-1-carbonitrile is sourced from PubChem (CID 45087586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).