N'-(3-methoxyprop-1-en-2-yl)methanimidamide

C5H10N2O — CID 155723002

IUPACN'-(3-methoxyprop-1-en-2-yl)methanimidamide
SMILESC=C(COC)/N=C/N
InChIInChI=1S/C5H10N2O/c1-5(3-8-2)7-4-6/h4H,1,3H2,2H3,(H2,6,7)
InChIKeyKVZHERUBYOEKOJ-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.13
Rot. Bonds3

About N'-(3-methoxyprop-1-en-2-yl)methanimidamide

N'-(3-methoxyprop-1-en-2-yl)methanimidamide (PubChem CID 155723002) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N'-(3-methoxyprop-1-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-(3-methoxyprop-1-en-2-yl)methanimidamide
PubChem CID155723002
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN'-(3-methoxyprop-1-en-2-yl)methanimidamide
SMILESC=C(COC)/N=C/N
InChIInChI=1S/C5H10N2O/c1-5(3-8-2)7-4-6/h4H,1,3H2,2H3,(H2,6,7)
InChIKeyKVZHERUBYOEKOJ-UHFFFAOYSA-N
XLogP0.13
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.13
H-Bond Donors ≤ 51
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'-(3-methoxyprop-1-en-2-yl)methanimidamide?
The IUPAC name of N'-(3-methoxyprop-1-en-2-yl)methanimidamide (CID 155723002) is N'-(3-methoxyprop-1-en-2-yl)methanimidamide.
What is the SMILES notation for N'-(3-methoxyprop-1-en-2-yl)methanimidamide?
The canonical SMILES for N'-(3-methoxyprop-1-en-2-yl)methanimidamide is C=C(COC)/N=C/N.
What is the InChIKey of N'-(3-methoxyprop-1-en-2-yl)methanimidamide?
The InChIKey is KVZHERUBYOEKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(3-8-2)7-4-6/h4H,1,3H2,2H3,(H2,6,7).
What are the key properties of N'-(3-methoxyprop-1-en-2-yl)methanimidamide?
N'-(3-methoxyprop-1-en-2-yl)methanimidamide has a molecular weight of 114.15 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyprop-1-en-2-yl)methanimidamide is sourced from PubChem (CID 155723002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).