N'-prop-1-en-2-ylmethanimidamide

C4H8N2 — CID 15791485

IUPACN'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N
InChIInChI=1S/C4H8N2/c1-4(2)6-3-5/h3H,1H2,2H3,(H2,5,6)
InChIKeyGXLUJQZSOKNDNI-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.51
Rot. Bonds1

About N'-prop-1-en-2-ylmethanimidamide

N'-prop-1-en-2-ylmethanimidamide (PubChem CID 15791485) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-prop-1-en-2-ylmethanimidamide
PubChem CID15791485
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC NameN'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N
InChIInChI=1S/C4H8N2/c1-4(2)6-3-5/h3H,1H2,2H3,(H2,5,6)
InChIKeyGXLUJQZSOKNDNI-UHFFFAOYSA-N
XLogP0.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N'-prop-1-en-2-ylmethanimidamide (CID 15791485) is N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N'-prop-1-en-2-ylmethanimidamide is C=C(C)/N=C/N.
What is the InChIKey of N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is GXLUJQZSOKNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-4(2)6-3-5/h3H,1H2,2H3,(H2,5,6).
What are the key properties of N'-prop-1-en-2-ylmethanimidamide?
N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 84.12 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 15791485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).