4-methylcyclopenta-1,3-diene-1-carbonitrile

C7H7N — CID 15566433

IUPAC4-methylcyclopenta-1,3-diene-1-carbonitrile
SMILESCC1=CC=C(C#N)C1
InChIInChI=1S/C7H7N/c1-6-2-3-7(4-6)5-8/h2-3H,4H2,1H3
InChIKeyIFLXIJWHFTZKSA-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.79
Rot. Bonds

About 4-methylcyclopenta-1,3-diene-1-carbonitrile

4-methylcyclopenta-1,3-diene-1-carbonitrile (PubChem CID 15566433) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 4-methylcyclopenta-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name4-methylcyclopenta-1,3-diene-1-carbonitrile
PubChem CID15566433
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name4-methylcyclopenta-1,3-diene-1-carbonitrile
SMILESCC1=CC=C(C#N)C1
InChIInChI=1S/C7H7N/c1-6-2-3-7(4-6)5-8/h2-3H,4H2,1H3
InChIKeyIFLXIJWHFTZKSA-UHFFFAOYSA-N
XLogP1.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclopenta-1,3-diene-1-carbonitrile?
The IUPAC name of 4-methylcyclopenta-1,3-diene-1-carbonitrile (CID 15566433) is 4-methylcyclopenta-1,3-diene-1-carbonitrile.
What is the SMILES notation for 4-methylcyclopenta-1,3-diene-1-carbonitrile?
The canonical SMILES for 4-methylcyclopenta-1,3-diene-1-carbonitrile is CC1=CC=C(C#N)C1.
What is the InChIKey of 4-methylcyclopenta-1,3-diene-1-carbonitrile?
The InChIKey is IFLXIJWHFTZKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-6-2-3-7(4-6)5-8/h2-3H,4H2,1H3.
What are the key properties of 4-methylcyclopenta-1,3-diene-1-carbonitrile?
4-methylcyclopenta-1,3-diene-1-carbonitrile has a molecular weight of 105.14 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclopenta-1,3-diene-1-carbonitrile is sourced from PubChem (CID 15566433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).