(E)-2-(4-methylfuran-2-yl)but-2-en-1-imine

C9H11NO — CID 163942230

IUPAC(E)-2-(4-methylfuran-2-yl)but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)c1cc(C)co1
InChIInChI=1S/C9H11NO/c1-3-8(5-10)9-4-7(2)6-11-9/h3-6,10H,1-2H3/b8-3+,10-5+
InChIKeyRRZNMUAAEDCUJI-URBVVNBUSA-N
MW149.19 g/mol
LogP2.64
Rot. Bonds2

About (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine

(E)-2-(4-methylfuran-2-yl)but-2-en-1-imine (PubChem CID 163942230) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(4-methylfuran-2-yl)but-2-en-1-imine
PubChem CID163942230
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(E)-2-(4-methylfuran-2-yl)but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)c1cc(C)co1
InChIInChI=1S/C9H11NO/c1-3-8(5-10)9-4-7(2)6-11-9/h3-6,10H,1-2H3/b8-3+,10-5+
InChIKeyRRZNMUAAEDCUJI-URBVVNBUSA-N
XLogP2.64
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine?
The IUPAC name of (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine (CID 163942230) is (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine.
What is the SMILES notation for (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine?
The canonical SMILES for (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine is [H]/N=C/C(=C\C)c1cc(C)co1.
What is the InChIKey of (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine?
The InChIKey is RRZNMUAAEDCUJI-URBVVNBUSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-8(5-10)9-4-7(2)6-11-9/h3-6,10H,1-2H3/b8-3+,10-5+.
What are the key properties of (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine?
(E)-2-(4-methylfuran-2-yl)but-2-en-1-imine has a molecular weight of 149.19 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylfuran-2-yl)but-2-en-1-imine is sourced from PubChem (CID 163942230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).