cyclopenta-2,4-diene-1-carbonitrile

C6H5N — CID 620080

IUPACcyclopenta-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC=C1
InChIInChI=1S/C6H5N/c7-5-6-3-1-2-4-6/h1-4,6H
InChIKeyFDXJRVMUANXFHL-UHFFFAOYSA-N
MW91.11 g/mol
LogP1.25
Rot. Bonds

About cyclopenta-2,4-diene-1-carbonitrile

cyclopenta-2,4-diene-1-carbonitrile (PubChem CID 620080) has the molecular formula C6H5N and a molecular weight of 91.11 g/mol. Its IUPAC name is cyclopenta-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Namecyclopenta-2,4-diene-1-carbonitrile
PubChem CID620080
Molecular FormulaC6H5N
Molecular Weight91.11 g/mol
Exact Mass91.04
IUPAC Namecyclopenta-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC=C1
InChIInChI=1S/C6H5N/c7-5-6-3-1-2-4-6/h1-4,6H
InChIKeyFDXJRVMUANXFHL-UHFFFAOYSA-N
XLogP1.25
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Cycloheptatriene-1-carbonitrile
CID 139516
1-Cyano-1,4-cyclopentadiene
CID 12156911
Cyclopenta-2,4-diene-1,1-dicarbonitrile
CID 13445029
2,4-Pentadiene cyanide
CID 15570266
2-Cyclopenta-1,4-dien-1-ylacetonitrile
CID 42552646
Hexa-3,5-dienenitrile
CID 54003766
2-Cyclopenta-2,4-dien-1-ylideneacetonitrile
CID 57188319
CID 10654209
CID 10654209
2-Methylcyclopenta-2,4-diene-1-carbonitrile
CID 11986773
2-Cyclopenta-2,4-dien-1-ylacetonitrile
CID 12663811
Cyclohexa-2,5-diene-1-carbonitrile
CID 15829443
4-Methylidenecyclohexa-2,5-diene-1-carbonitrile
CID 17844622

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-diene-1-carbonitrile?
The IUPAC name of cyclopenta-2,4-diene-1-carbonitrile (CID 620080) is cyclopenta-2,4-diene-1-carbonitrile.
What is the SMILES notation for cyclopenta-2,4-diene-1-carbonitrile?
The canonical SMILES for cyclopenta-2,4-diene-1-carbonitrile is N#CC1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-diene-1-carbonitrile?
The InChIKey is FDXJRVMUANXFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N/c7-5-6-3-1-2-4-6/h1-4,6H.
What are the key properties of cyclopenta-2,4-diene-1-carbonitrile?
cyclopenta-2,4-diene-1-carbonitrile has a molecular weight of 91.11 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-diene-1-carbonitrile is sourced from PubChem (CID 620080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).