(2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile

C11H17N — CID 135009162

IUPAC(2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile
SMILESCC(C)[C@@]1(C)CCC/C1=C\C#N
InChIInChI=1S/C11H17N/c1-9(2)11(3)7-4-5-10(11)6-8-12/h6,9H,4-5,7H2,1-3H3/b10-6+/t11-/m1/s1
InChIKeyFRYQQELTZSRJTN-CDCCAWJDSA-N
MW163.26 g/mol
LogP3.28
Rot. Bonds1

About (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile

(2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile (PubChem CID 135009162) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile.

Molecular Properties

Compound Name(2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile
PubChem CID135009162
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile
SMILESCC(C)[C@@]1(C)CCC/C1=C\C#N
InChIInChI=1S/C11H17N/c1-9(2)11(3)7-4-5-10(11)6-8-12/h6,9H,4-5,7H2,1-3H3/b10-6+/t11-/m1/s1
InChIKeyFRYQQELTZSRJTN-CDCCAWJDSA-N
XLogP3.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile?
The IUPAC name of (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile (CID 135009162) is (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile.
What is the SMILES notation for (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile?
The canonical SMILES for (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile is CC(C)[C@@]1(C)CCC/C1=C\C#N.
What is the InChIKey of (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile?
The InChIKey is FRYQQELTZSRJTN-CDCCAWJDSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)11(3)7-4-5-10(11)6-8-12/h6,9H,4-5,7H2,1-3H3/b10-6+/t11-/m1/s1.
What are the key properties of (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile?
(2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile has a molecular weight of 163.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile is sourced from PubChem (CID 135009162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).