(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile

C14H21N — CID 67579668

IUPAC(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile
SMILESC=C(C[C@@H](C)C#N)C1CC=C(C)C1(C)C
InChIInChI=1S/C14H21N/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,10,13H,2,7-8H2,1,3-5H3/t10-,13?/m1/s1
InChIKeyPEWYITOSBDCGGN-VUUHIHSGSA-N
MW203.33 g/mol
LogP4.08
Rot. Bonds3

About (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile

(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile (PubChem CID 67579668) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile.

Molecular Properties

Compound Name(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile
PubChem CID67579668
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile
SMILESC=C(C[C@@H](C)C#N)C1CC=C(C)C1(C)C
InChIInChI=1S/C14H21N/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,10,13H,2,7-8H2,1,3-5H3/t10-,13?/m1/s1
InChIKeyPEWYITOSBDCGGN-VUUHIHSGSA-N
XLogP4.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.08
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 (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile?
The IUPAC name of (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile (CID 67579668) is (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile.
What is the SMILES notation for (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile?
The canonical SMILES for (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile is C=C(C[C@@H](C)C#N)C1CC=C(C)C1(C)C.
What is the InChIKey of (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile?
The InChIKey is PEWYITOSBDCGGN-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H21N/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,10,13H,2,7-8H2,1,3-5H3/t10-,13?/m1/s1.
What are the key properties of (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile?
(2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile has a molecular weight of 203.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enenitrile is sourced from PubChem (CID 67579668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).