(2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile

C14H20N2 — CID 142930352

IUPAC(2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile
SMILESC=C/C=C(C#N)\C(=C/C)CCN1CCCC1
InChIInChI=1S/C14H20N2/c1-3-7-14(12-15)13(4-2)8-11-16-9-5-6-10-16/h3-4,7H,1,5-6,8-11H2,2H3/b13-4-,14-7-
InChIKeyWJCVYRNIQZAKSW-UAVHMYBOSA-N
MW216.33 g/mol
LogP3.05
Rot. Bonds5

About (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile

(2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile (PubChem CID 142930352) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile
PubChem CID142930352
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile
SMILESC=C/C=C(C#N)\C(=C/C)CCN1CCCC1
InChIInChI=1S/C14H20N2/c1-3-7-14(12-15)13(4-2)8-11-16-9-5-6-10-16/h3-4,7H,1,5-6,8-11H2,2H3/b13-4-,14-7-
InChIKeyWJCVYRNIQZAKSW-UAVHMYBOSA-N
XLogP3.05
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile?
The IUPAC name of (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile (CID 142930352) is (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile.
What is the SMILES notation for (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile?
The canonical SMILES for (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile is C=C/C=C(C#N)\C(=C/C)CCN1CCCC1.
What is the InChIKey of (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile?
The InChIKey is WJCVYRNIQZAKSW-UAVHMYBOSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-7-14(12-15)13(4-2)8-11-16-9-5-6-10-16/h3-4,7H,1,5-6,8-11H2,2H3/b13-4-,14-7-.
What are the key properties of (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile?
(2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-5-pyrrolidin-1-ylpent-2-en-3-yl]penta-2,4-dienenitrile is sourced from PubChem (CID 142930352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).