N'-[(E)-prop-1-enoxy]methanimidamide

C4H8N2O — CID 170068703

IUPACN'-[(E)-prop-1-enoxy]methanimidamide
SMILESC/C=C/O/N=C\N
InChIInChI=1S/C4H8N2O/c1-2-3-7-6-4-5/h2-4H,1H3,(H2,5,6)/b3-2+
InChIKeyCDNCYRKJMOFXIK-NSCUHMNNSA-N
MW100.12 g/mol
LogP0.44
Rot. Bonds2

About N'-[(E)-prop-1-enoxy]methanimidamide

N'-[(E)-prop-1-enoxy]methanimidamide (PubChem CID 170068703) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N'-[(E)-prop-1-enoxy]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-prop-1-enoxy]methanimidamide
PubChem CID170068703
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN'-[(E)-prop-1-enoxy]methanimidamide
SMILESC/C=C/O/N=C\N
InChIInChI=1S/C4H8N2O/c1-2-3-7-6-4-5/h2-4H,1H3,(H2,5,6)/b3-2+
InChIKeyCDNCYRKJMOFXIK-NSCUHMNNSA-N
XLogP0.44
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-aminomethylideneamino] formate
CID 23295670
O-prop-1-enylhydroxylamine;hydrochloride
CID 141490090
prop-1-enyl methanehydrazonate
CID 123249427
N'-[(Z)-4-methylpent-2-en-3-yl]oxymethanimidamide
CID 134344133
prop-1-enylmercury
CID 154078455
but-2-ene;1-methoxyprop-1-ene
CID 91394801
azane;prop-1-en-1-amine
CID 174584190
N'-(chloromethoxy)methanimidamide
CID 123494030
N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
CID 89357801
8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 141422074
benzene;1-methoxyprop-1-ene
CID 158604607
prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene
CID 174796957

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-prop-1-enoxy]methanimidamide?
The IUPAC name of N'-[(E)-prop-1-enoxy]methanimidamide (CID 170068703) is N'-[(E)-prop-1-enoxy]methanimidamide.
What is the SMILES notation for N'-[(E)-prop-1-enoxy]methanimidamide?
The canonical SMILES for N'-[(E)-prop-1-enoxy]methanimidamide is C/C=C/O/N=C\N.
What is the InChIKey of N'-[(E)-prop-1-enoxy]methanimidamide?
The InChIKey is CDNCYRKJMOFXIK-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3-7-6-4-5/h2-4H,1H3,(H2,5,6)/b3-2+.
What are the key properties of N'-[(E)-prop-1-enoxy]methanimidamide?
N'-[(E)-prop-1-enoxy]methanimidamide has a molecular weight of 100.12 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-prop-1-enoxy]methanimidamide is sourced from PubChem (CID 170068703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).