pent-4-en-2-imine

C5H9N — CID 123337218

IUPACpent-4-en-2-imine
SMILES[H]/N=C(\C)CC=C
InChIInChI=1S/C5H9N/c1-3-4-5(2)6/h3,6H,1,4H2,2H3/b6-5+
InChIKeyXTBPHWZBBPQMCS-AATRIKPKSA-N
MW83.13 g/mol
LogP1.60
Rot. Bonds2

About pent-4-en-2-imine

pent-4-en-2-imine (PubChem CID 123337218) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is pent-4-en-2-imine.

Molecular Properties

Compound Namepent-4-en-2-imine
PubChem CID123337218
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Namepent-4-en-2-imine
SMILES[H]/N=C(\C)CC=C
InChIInChI=1S/C5H9N/c1-3-4-5(2)6/h3,6H,1,4H2,2H3/b6-5+
InChIKeyXTBPHWZBBPQMCS-AATRIKPKSA-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'}

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Frequently Asked Questions

What is the IUPAC name of pent-4-en-2-imine?
The IUPAC name of pent-4-en-2-imine (CID 123337218) is pent-4-en-2-imine.
What is the SMILES notation for pent-4-en-2-imine?
The canonical SMILES for pent-4-en-2-imine is [H]/N=C(\C)CC=C.
What is the InChIKey of pent-4-en-2-imine?
The InChIKey is XTBPHWZBBPQMCS-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9N/c1-3-4-5(2)6/h3,6H,1,4H2,2H3/b6-5+.
What are the key properties of pent-4-en-2-imine?
pent-4-en-2-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-4-en-2-imine is sourced from PubChem (CID 123337218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).