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

C7H11N — CID 88254229

IUPAC(E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C/C=N/C=C\C
InChIInChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7?
InChIKeyPSVNOQDVJFDFQR-WFLZBTQASA-N
MW109.17 g/mol
LogP1.60
Rot. Bonds2

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

(E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine (PubChem CID 88254229) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
PubChem CID88254229
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C/C=N/C=C\C
InChIInChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7?
InChIKeyPSVNOQDVJFDFQR-WFLZBTQASA-N
XLogP1.60
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity110

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The IUPAC name of (E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine (CID 88254229) is (E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The canonical SMILES for (E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine is C/C=C/C=N/C=C\C.
What is the InChIKey of (E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The InChIKey is PSVNOQDVJFDFQR-WFLZBTQASA-N. The full InChI is InChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7?.
What are the key properties of (E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
(E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-prop-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 88254229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).