ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile

C10H15N — CID 143537599

IUPACethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
SMILESC=C/C=C(C#N)\C=C/C.CC
InChIInChI=1S/C8H9N.C2H6/c1-3-5-8(7-9)6-4-2;1-2/h3-6H,1H2,2H3;1-2H3/b6-4-,8-5+;
InChIKeyIVCMHZPYVVGWRH-CSXGQTSLSA-N
MW149.24 g/mol
LogP3.22
Rot. Bonds2

About ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile

ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile (PubChem CID 143537599) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile.

Molecular Properties

Compound Nameethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
PubChem CID143537599
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Nameethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
SMILESC=C/C=C(C#N)\C=C/C.CC
InChIInChI=1S/C8H9N.C2H6/c1-3-5-8(7-9)6-4-2;1-2/h3-6H,1H2,2H3;1-2H3/b6-4-,8-5+;
InChIKeyIVCMHZPYVVGWRH-CSXGQTSLSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile?
The IUPAC name of ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile (CID 143537599) is ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile.
What is the SMILES notation for ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile?
The canonical SMILES for ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile is C=C/C=C(C#N)\C=C/C.CC.
What is the InChIKey of ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile?
The InChIKey is IVCMHZPYVVGWRH-CSXGQTSLSA-N. The full InChI is InChI=1S/C8H9N.C2H6/c1-3-5-8(7-9)6-4-2;1-2/h3-6H,1H2,2H3;1-2H3/b6-4-,8-5+;.
What are the key properties of ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile?
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile is sourced from PubChem (CID 143537599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).