ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine

C10H15NO — CID 153352479

IUPACethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine
SMILESC=Cc1cc(C)oc1N=C.CC
InChIInChI=1S/C8H9NO.C2H6/c1-4-7-5-6(2)10-8(7)9-3;1-2/h4-5H,1,3H2,2H3;1-2H3
InChIKeyRNNFYMZXTYBSHY-UHFFFAOYSA-N
MW165.24 g/mol
LogP3.59
Rot. Bonds2

About ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine

ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine (PubChem CID 153352479) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine
PubChem CID153352479
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine
SMILESC=Cc1cc(C)oc1N=C.CC
InChIInChI=1S/C8H9NO.C2H6/c1-4-7-5-6(2)10-8(7)9-3;1-2/h4-5H,1,3H2,2H3;1-2H3
InChIKeyRNNFYMZXTYBSHY-UHFFFAOYSA-N
XLogP3.59
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine?
The IUPAC name of ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine (CID 153352479) is ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine.
What is the SMILES notation for ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine?
The canonical SMILES for ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine is C=Cc1cc(C)oc1N=C.CC.
What is the InChIKey of ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine?
The InChIKey is RNNFYMZXTYBSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c1-4-7-5-6(2)10-8(7)9-3;1-2/h4-5H,1,3H2,2H3;1-2H3.
What are the key properties of ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine?
ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine has a molecular weight of 165.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethenyl-5-methylfuran-2-yl)methanimine is sourced from PubChem (CID 153352479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).