(E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile

C8H12N2 — CID 134445420

IUPAC(E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile
SMILESCC/C=C(C#N)\C=C(\C)N
InChIInChI=1S/C8H12N2/c1-3-4-8(6-9)5-7(2)10/h4-5H,3,10H2,1-2H3/b7-5-,8-4+
InChIKeyGIQBJWXETWDZGV-DZAKWUEVSA-N
MW136.20 g/mol
LogP1.71
Rot. Bonds2

About (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile

(E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile (PubChem CID 134445420) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile.

Molecular Properties

Compound Name(E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile
PubChem CID134445420
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile
SMILESCC/C=C(C#N)\C=C(\C)N
InChIInChI=1S/C8H12N2/c1-3-4-8(6-9)5-7(2)10/h4-5H,3,10H2,1-2H3/b7-5-,8-4+
InChIKeyGIQBJWXETWDZGV-DZAKWUEVSA-N
XLogP1.71
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile?
The IUPAC name of (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile (CID 134445420) is (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile.
What is the SMILES notation for (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile?
The canonical SMILES for (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile is CC/C=C(C#N)\C=C(\C)N.
What is the InChIKey of (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile?
The InChIKey is GIQBJWXETWDZGV-DZAKWUEVSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-8(6-9)5-7(2)10/h4-5H,3,10H2,1-2H3/b7-5-,8-4+.
What are the key properties of (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile?
(E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile has a molecular weight of 136.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-2-aminoprop-1-enyl]pent-2-enenitrile is sourced from PubChem (CID 134445420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).