N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide

C12H16N2O — CID 143858919

IUPACN'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C(=C\C)c1cc(C)oc1C
InChIInChI=1S/C12H16N2O/c1-6-12(14-10(4)13-5)11-7-8(2)15-9(11)3/h6-7H,5H2,1-4H3/b12-6-,14-10+
InChIKeyZRKKSYLXJOCXKD-LWSQKGMUSA-N
MW204.27 g/mol
LogP3.38
Rot. Bonds2

About N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide

N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide (PubChem CID 143858919) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide
PubChem CID143858919
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C(=C\C)c1cc(C)oc1C
InChIInChI=1S/C12H16N2O/c1-6-12(14-10(4)13-5)11-7-8(2)15-9(11)3/h6-7H,5H2,1-4H3/b12-6-,14-10+
InChIKeyZRKKSYLXJOCXKD-LWSQKGMUSA-N
XLogP3.38
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.38
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide?
The IUPAC name of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide (CID 143858919) is N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide?
The canonical SMILES for N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide is C=N/C(C)=N/C(=C\C)c1cc(C)oc1C.
What is the InChIKey of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide?
The InChIKey is ZRKKSYLXJOCXKD-LWSQKGMUSA-N. The full InChI is InChI=1S/C12H16N2O/c1-6-12(14-10(4)13-5)11-7-8(2)15-9(11)3/h6-7H,5H2,1-4H3/b12-6-,14-10+.
What are the key properties of N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide?
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide has a molecular weight of 204.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(2,5-dimethylfuran-3-yl)prop-1-enyl]-N-methylideneethanimidamide is sourced from PubChem (CID 143858919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).