pent-3-en-1-imine

C5H9N — CID 57231252

IUPACpent-3-en-1-imine
SMILES[H]/N=C/CC=CC
InChIInChI=1S/C5H9N/c1-2-3-4-5-6/h2-3,5-6H,4H2,1H3/b3-2?,6-5+
InChIKeyKHDJXISQPDSYSP-KXYQGZHVSA-N
MW83.13 g/mol
LogP1.60
Rot. Bonds2

About pent-3-en-1-imine

pent-3-en-1-imine (PubChem CID 57231252) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is pent-3-en-1-imine.

Molecular Properties

Compound Namepent-3-en-1-imine
PubChem CID57231252
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Namepent-3-en-1-imine
SMILES[H]/N=C/CC=CC
InChIInChI=1S/C5H9N/c1-2-3-4-5-6/h2-3,5-6H,4H2,1H3/b3-2?,6-5+
InChIKeyKHDJXISQPDSYSP-KXYQGZHVSA-N
XLogP1.60
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pent-3-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-pent-2-en-1-imine
CID 44820632
Pent-4-en-1-imine
CID 12815218
Azahexadiene
CID 53732655
(E)-3-fluoropent-3-en-1-imine
CID 122663471
(Z)-5-fluorohex-2-en-1-imine
CID 123228456
Octa-2,6-dien-1-imine
CID 172654188
(E)-pent-2-en-1-imine
CID 17858252
(E)-hex-2-en-1-imine
CID 21135091
Pent-2-ene-1,5-diimine
CID 53718158
Oct-3-en-1-imine
CID 53787635
Hexa-3,5-dien-1-imine
CID 54163040
Hex-2-en-1-imine
CID 54277085

Frequently Asked Questions

What is the IUPAC name of pent-3-en-1-imine?
The IUPAC name of pent-3-en-1-imine (CID 57231252) is pent-3-en-1-imine.
What is the SMILES notation for pent-3-en-1-imine?
The canonical SMILES for pent-3-en-1-imine is [H]/N=C/CC=CC.
What is the InChIKey of pent-3-en-1-imine?
The InChIKey is KHDJXISQPDSYSP-KXYQGZHVSA-N. The full InChI is InChI=1S/C5H9N/c1-2-3-4-5-6/h2-3,5-6H,4H2,1H3/b3-2?,6-5+.
What are the key properties of pent-3-en-1-imine?
pent-3-en-1-imine has a molecular weight of 83.13 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-en-1-imine is sourced from PubChem (CID 57231252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).