but-2-en-1-imine

C4H7N — CID 20770472

IUPACbut-2-en-1-imine
SMILES[H]/N=C/C=CC
InChIInChI=1S/C4H7N/c1-2-3-4-5/h2-5H,1H3/b3-2?,5-4+
InChIKeyZWPLVWWFBADGOR-FCEBADDRSA-N
MW69.11 g/mol
LogP1.21
Rot. Bonds1

About but-2-en-1-imine

but-2-en-1-imine (PubChem CID 20770472) has the molecular formula C4H7N and a molecular weight of 69.11 g/mol. Its IUPAC name is but-2-en-1-imine.

Molecular Properties

Compound Namebut-2-en-1-imine
PubChem CID20770472
Molecular FormulaC4H7N
Molecular Weight69.11 g/mol
Exact Mass69.06
IUPAC Namebut-2-en-1-imine
SMILES[H]/N=C/C=CC
InChIInChI=1S/C4H7N/c1-2-3-4-5/h2-5H,1H3/b3-2?,5-4+
InChIKeyZWPLVWWFBADGOR-FCEBADDRSA-N
XLogP1.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
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 but-2-en-1-imine?
The IUPAC name of but-2-en-1-imine (CID 20770472) is but-2-en-1-imine.
What is the SMILES notation for but-2-en-1-imine?
The canonical SMILES for but-2-en-1-imine is [H]/N=C/C=CC.
What is the InChIKey of but-2-en-1-imine?
The InChIKey is ZWPLVWWFBADGOR-FCEBADDRSA-N. The full InChI is InChI=1S/C4H7N/c1-2-3-4-5/h2-5H,1H3/b3-2?,5-4+.
What are the key properties of but-2-en-1-imine?
but-2-en-1-imine has a molecular weight of 69.11 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-1-imine is sourced from PubChem (CID 20770472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).