3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile

C11H13N — CID 70554803

IUPAC3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile
SMILESC=CCC1=C(C)C(=C)CC1C#N
InChIInChI=1S/C11H13N/c1-4-5-11-9(3)8(2)6-10(11)7-12/h4,10H,1-2,5-6H2,3H3
InChIKeyRGOIQHAFQLDDDA-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.98
Rot. Bonds2

About 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile

3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile (PubChem CID 70554803) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile
PubChem CID70554803
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile
SMILESC=CCC1=C(C)C(=C)CC1C#N
InChIInChI=1S/C11H13N/c1-4-5-11-9(3)8(2)6-10(11)7-12/h4,10H,1-2,5-6H2,3H3
InChIKeyRGOIQHAFQLDDDA-UHFFFAOYSA-N
XLogP2.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile?
The IUPAC name of 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile (CID 70554803) is 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile.
What is the SMILES notation for 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile?
The canonical SMILES for 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile is C=CCC1=C(C)C(=C)CC1C#N.
What is the InChIKey of 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile?
The InChIKey is RGOIQHAFQLDDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-4-5-11-9(3)8(2)6-10(11)7-12/h4,10H,1-2,5-6H2,3H3.
What are the key properties of 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile?
3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile has a molecular weight of 159.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidene-2-prop-2-enylcyclopent-2-ene-1-carbonitrile is sourced from PubChem (CID 70554803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).