(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine

C7H10N2 — CID 88875316

IUPAC(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine
SMILES[H]/N=C/C=C/N=C/C=C\C
InChIInChI=1S/C7H10N2/c1-2-3-6-9-7-4-5-8/h2-8H,1H3/b3-2-,7-4+,8-5+,9-6+
InChIKeyHSXLZEMLAUNXHV-AZFAIRMGSA-N
MW122.17 g/mol
LogP1.80
Rot. Bonds3

About (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine

(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine (PubChem CID 88875316) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine
PubChem CID88875316
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine
SMILES[H]/N=C/C=C/N=C/C=C\C
InChIInChI=1S/C7H10N2/c1-2-3-6-9-7-4-5-8/h2-8H,1H3/b3-2-,7-4+,8-5+,9-6+
InChIKeyHSXLZEMLAUNXHV-AZFAIRMGSA-N
XLogP1.80
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine (CID 88875316) is (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine is [H]/N=C/C=C/N=C/C=C\C.
What is the InChIKey of (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine?
The InChIKey is HSXLZEMLAUNXHV-AZFAIRMGSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-3-6-9-7-4-5-8/h2-8H,1H3/b3-2-,7-4+,8-5+,9-6+.
What are the key properties of (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine?
(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine has a molecular weight of 122.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 88875316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).