N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide

C9H15N3O2 — CID 143798128

IUPACN'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide
SMILES[H]/N=C/C(=C)OC(/N=C\N)=C(\C)COC
InChIInChI=1S/C9H15N3O2/c1-7(5-13-3)9(12-6-11)14-8(2)4-10/h4,6,10H,2,5H2,1,3H3,(H2,11,12)/b9-7+,10-4+
InChIKeyFSADLZXRUQOCBA-FXLUECPISA-N
MW197.24 g/mol
LogP1.03
Rot. Bonds6

About N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide

N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide (PubChem CID 143798128) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide
PubChem CID143798128
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide
SMILES[H]/N=C/C(=C)OC(/N=C\N)=C(\C)COC
InChIInChI=1S/C9H15N3O2/c1-7(5-13-3)9(12-6-11)14-8(2)4-10/h4,6,10H,2,5H2,1,3H3,(H2,11,12)/b9-7+,10-4+
InChIKeyFSADLZXRUQOCBA-FXLUECPISA-N
XLogP1.03
TPSA80.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide?
The IUPAC name of N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide (CID 143798128) is N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide is [H]/N=C/C(=C)OC(/N=C\N)=C(\C)COC.
What is the InChIKey of N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide?
The InChIKey is FSADLZXRUQOCBA-FXLUECPISA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(5-13-3)9(12-6-11)14-8(2)4-10/h4,6,10H,2,5H2,1,3H3,(H2,11,12)/b9-7+,10-4+.
What are the key properties of N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide?
N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide has a molecular weight of 197.24 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(3-iminoprop-1-en-2-yloxy)-3-methoxy-2-methylprop-1-enyl]methanimidamide is sourced from PubChem (CID 143798128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).