N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide

C12H12N2O — CID 154954035

IUPACN-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide
SMILESC=C/N=C/N=C1\C(=C)OC(C=C)=C1C=C
InChIInChI=1S/C12H12N2O/c1-5-10-11(6-2)15-9(4)12(10)14-8-13-7-3/h5-8H,1-4H2/b13-8+,14-12+
InChIKeySCTWCRDMUPTBJD-LMLHBTEYSA-N
MW200.24 g/mol
LogP2.77
Rot. Bonds4

About N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide

N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide (PubChem CID 154954035) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide.

Molecular Properties

Compound NameN-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide
PubChem CID154954035
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide
SMILESC=C/N=C/N=C1\C(=C)OC(C=C)=C1C=C
InChIInChI=1S/C12H12N2O/c1-5-10-11(6-2)15-9(4)12(10)14-8-13-7-3/h5-8H,1-4H2/b13-8+,14-12+
InChIKeySCTWCRDMUPTBJD-LMLHBTEYSA-N
XLogP2.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide 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 N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide?
The IUPAC name of N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide (CID 154954035) is N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide.
What is the SMILES notation for N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide?
The canonical SMILES for N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide is C=C/N=C/N=C1\C(=C)OC(C=C)=C1C=C.
What is the InChIKey of N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide?
The InChIKey is SCTWCRDMUPTBJD-LMLHBTEYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-5-10-11(6-2)15-9(4)12(10)14-8-13-7-3/h5-8H,1-4H2/b13-8+,14-12+.
What are the key properties of N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide?
N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide has a molecular weight of 200.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(ethenyl)-2-methylidenefuran-3-ylidene]-N'-ethenylmethanimidamide is sourced from PubChem (CID 154954035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).