2-methylcyclopenta-2,4-diene-1-carbonitrile

C7H7N — CID 11986773

IUPAC2-methylcyclopenta-2,4-diene-1-carbonitrile
SMILESCC1=CC=CC1C#N
InChIInChI=1S/C7H7N/c1-6-3-2-4-7(6)5-8/h2-4,7H,1H3
InChIKeyKSXDWDCUQHAQSC-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.64
Rot. Bonds

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

2-methylcyclopenta-2,4-diene-1-carbonitrile (PubChem CID 11986773) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-methylcyclopenta-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name2-methylcyclopenta-2,4-diene-1-carbonitrile
PubChem CID11986773
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name2-methylcyclopenta-2,4-diene-1-carbonitrile
SMILESCC1=CC=CC1C#N
InChIInChI=1S/C7H7N/c1-6-3-2-4-7(6)5-8/h2-4,7H,1H3
InChIKeyKSXDWDCUQHAQSC-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclopenta-2,4-diene-1-carbonitrile?
The IUPAC name of 2-methylcyclopenta-2,4-diene-1-carbonitrile (CID 11986773) is 2-methylcyclopenta-2,4-diene-1-carbonitrile.
What is the SMILES notation for 2-methylcyclopenta-2,4-diene-1-carbonitrile?
The canonical SMILES for 2-methylcyclopenta-2,4-diene-1-carbonitrile is CC1=CC=CC1C#N.
What is the InChIKey of 2-methylcyclopenta-2,4-diene-1-carbonitrile?
The InChIKey is KSXDWDCUQHAQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-6-3-2-4-7(6)5-8/h2-4,7H,1H3.
What are the key properties of 2-methylcyclopenta-2,4-diene-1-carbonitrile?
2-methylcyclopenta-2,4-diene-1-carbonitrile has a molecular weight of 105.14 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopenta-2,4-diene-1-carbonitrile is sourced from PubChem (CID 11986773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).