(Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile

C7H10N2 — CID 134445383

IUPAC(Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile
SMILESC/C=C\C(C#N)=C(\C)N
InChIInChI=1S/C7H10N2/c1-3-4-7(5-8)6(2)9/h3-4H,9H2,1-2H3/b4-3-,7-6+
InChIKeyJHSIOTBFIKQARC-WWVFNRLHSA-N
MW122.17 g/mol
LogP1.32
Rot. Bonds1

About (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile

(Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile (PubChem CID 134445383) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile.

Molecular Properties

Compound Name(Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile
PubChem CID134445383
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile
SMILESC/C=C\C(C#N)=C(\C)N
InChIInChI=1S/C7H10N2/c1-3-4-7(5-8)6(2)9/h3-4H,9H2,1-2H3/b4-3-,7-6+
InChIKeyJHSIOTBFIKQARC-WWVFNRLHSA-N
XLogP1.32
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.32
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 (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile?
The IUPAC name of (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile (CID 134445383) is (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile.
What is the SMILES notation for (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile?
The canonical SMILES for (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile is C/C=C\C(C#N)=C(\C)N.
What is the InChIKey of (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile?
The InChIKey is JHSIOTBFIKQARC-WWVFNRLHSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-4-7(5-8)6(2)9/h3-4H,9H2,1-2H3/b4-3-,7-6+.
What are the key properties of (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile?
(Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile has a molecular weight of 122.17 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(1-aminoethylidene)pent-3-enenitrile is sourced from PubChem (CID 134445383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).