N-(1-cyanoethenyl)-N'-methylmethanimidamide

C5H7N3 — CID 170771885

IUPACN-(1-cyanoethenyl)-N'-methylmethanimidamide
SMILESC=C(C#N)N/C=N/C
InChIInChI=1S/C5H7N3/c1-5(3-6)8-4-7-2/h4H,1H2,2H3,(H,7,8)
InChIKeyLVHURYMJSMMRJX-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.27
Rot. Bonds2

About N-(1-cyanoethenyl)-N'-methylmethanimidamide

N-(1-cyanoethenyl)-N'-methylmethanimidamide (PubChem CID 170771885) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is N-(1-cyanoethenyl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(1-cyanoethenyl)-N'-methylmethanimidamide
PubChem CID170771885
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC NameN-(1-cyanoethenyl)-N'-methylmethanimidamide
SMILESC=C(C#N)N/C=N/C
InChIInChI=1S/C5H7N3/c1-5(3-6)8-4-7-2/h4H,1H2,2H3,(H,7,8)
InChIKeyLVHURYMJSMMRJX-UHFFFAOYSA-N
XLogP0.27
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', '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-(1-cyanoethenyl)-N'-methylmethanimidamide?
The IUPAC name of N-(1-cyanoethenyl)-N'-methylmethanimidamide (CID 170771885) is N-(1-cyanoethenyl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(1-cyanoethenyl)-N'-methylmethanimidamide?
The canonical SMILES for N-(1-cyanoethenyl)-N'-methylmethanimidamide is C=C(C#N)N/C=N/C.
What is the InChIKey of N-(1-cyanoethenyl)-N'-methylmethanimidamide?
The InChIKey is LVHURYMJSMMRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-5(3-6)8-4-7-2/h4H,1H2,2H3,(H,7,8).
What are the key properties of N-(1-cyanoethenyl)-N'-methylmethanimidamide?
N-(1-cyanoethenyl)-N'-methylmethanimidamide has a molecular weight of 109.13 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethenyl)-N'-methylmethanimidamide is sourced from PubChem (CID 170771885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).