N-[(Z)-pent-1-enyl]ethanimine

C7H13N — CID 89163913

IUPACN-[(Z)-pent-1-enyl]ethanimine
SMILESC/C=N/C=C\CCC
InChIInChI=1S/C7H13N/c1-3-5-6-7-8-4-2/h4,6-7H,3,5H2,1-2H3/b7-6-,8-4+
InChIKeyIJJVAQNRGJANHU-AKAREZBESA-N
MW111.19 g/mol
LogP2.39
Rot. Bonds3

About N-[(Z)-pent-1-enyl]ethanimine

N-[(Z)-pent-1-enyl]ethanimine (PubChem CID 89163913) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-[(Z)-pent-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-pent-1-enyl]ethanimine
PubChem CID89163913
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-[(Z)-pent-1-enyl]ethanimine
SMILESC/C=N/C=C\CCC
InChIInChI=1S/C7H13N/c1-3-5-6-7-8-4-2/h4,6-7H,3,5H2,1-2H3/b7-6-,8-4+
InChIKeyIJJVAQNRGJANHU-AKAREZBESA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.39
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 N-[(Z)-pent-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-pent-1-enyl]ethanimine (CID 89163913) is N-[(Z)-pent-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-pent-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-pent-1-enyl]ethanimine is C/C=N/C=C\CCC.
What is the InChIKey of N-[(Z)-pent-1-enyl]ethanimine?
The InChIKey is IJJVAQNRGJANHU-AKAREZBESA-N. The full InChI is InChI=1S/C7H13N/c1-3-5-6-7-8-4-2/h4,6-7H,3,5H2,1-2H3/b7-6-,8-4+.
What are the key properties of N-[(Z)-pent-1-enyl]ethanimine?
N-[(Z)-pent-1-enyl]ethanimine has a molecular weight of 111.19 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-1-enyl]ethanimine is sourced from PubChem (CID 89163913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).