(E)-but-2-ene;N-but-3-enylmethanimine

C9H17N — CID 144930744

IUPAC(E)-but-2-ene;N-but-3-enylmethanimine
SMILESC/C=C/C.C=CCCN=C
InChIInChI=1S/C5H9N.C4H8/c1-3-4-5-6-2;1-3-4-2/h3H,1-2,4-5H2;3-4H,1-2H3/b;4-3+
InChIKeyIYQFCYVJPZPIGR-SCBDLNNBSA-N
MW139.24 g/mol
LogP2.85
Rot. Bonds3

About (E)-but-2-ene;N-but-3-enylmethanimine

(E)-but-2-ene;N-but-3-enylmethanimine (PubChem CID 144930744) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-but-2-ene;N-but-3-enylmethanimine.

Molecular Properties

Compound Name(E)-but-2-ene;N-but-3-enylmethanimine
PubChem CID144930744
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-but-2-ene;N-but-3-enylmethanimine
SMILESC/C=C/C.C=CCCN=C
InChIInChI=1S/C5H9N.C4H8/c1-3-4-5-6-2;1-3-4-2/h3H,1-2,4-5H2;3-4H,1-2H3/b;4-3+
InChIKeyIYQFCYVJPZPIGR-SCBDLNNBSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-but-2-ene;N-but-3-enylmethanimine?
The IUPAC name of (E)-but-2-ene;N-but-3-enylmethanimine (CID 144930744) is (E)-but-2-ene;N-but-3-enylmethanimine.
What is the SMILES notation for (E)-but-2-ene;N-but-3-enylmethanimine?
The canonical SMILES for (E)-but-2-ene;N-but-3-enylmethanimine is C/C=C/C.C=CCCN=C.
What is the InChIKey of (E)-but-2-ene;N-but-3-enylmethanimine?
The InChIKey is IYQFCYVJPZPIGR-SCBDLNNBSA-N. The full InChI is InChI=1S/C5H9N.C4H8/c1-3-4-5-6-2;1-3-4-2/h3H,1-2,4-5H2;3-4H,1-2H3/b;4-3+.
What are the key properties of (E)-but-2-ene;N-but-3-enylmethanimine?
(E)-but-2-ene;N-but-3-enylmethanimine has a molecular weight of 139.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;N-but-3-enylmethanimine is sourced from PubChem (CID 144930744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).