N'-but-1-en-2-ylmethanimidamide

C5H10N2 — CID 143063401

IUPACN'-but-1-en-2-ylmethanimidamide
SMILESC=C(CC)/N=C/N
InChIInChI=1S/C5H10N2/c1-3-5(2)7-4-6/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyMFKHNIMDRQXNRG-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.90
Rot. Bonds2

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

N'-but-1-en-2-ylmethanimidamide (PubChem CID 143063401) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N'-but-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-but-1-en-2-ylmethanimidamide
PubChem CID143063401
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN'-but-1-en-2-ylmethanimidamide
SMILESC=C(CC)/N=C/N
InChIInChI=1S/C5H10N2/c1-3-5(2)7-4-6/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyMFKHNIMDRQXNRG-UHFFFAOYSA-N
XLogP0.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.90
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'-but-1-en-2-ylmethanimidamide?
The IUPAC name of N'-but-1-en-2-ylmethanimidamide (CID 143063401) is N'-but-1-en-2-ylmethanimidamide.
What is the SMILES notation for N'-but-1-en-2-ylmethanimidamide?
The canonical SMILES for N'-but-1-en-2-ylmethanimidamide is C=C(CC)/N=C/N.
What is the InChIKey of N'-but-1-en-2-ylmethanimidamide?
The InChIKey is MFKHNIMDRQXNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-5(2)7-4-6/h4H,2-3H2,1H3,(H2,6,7).
What are the key properties of N'-but-1-en-2-ylmethanimidamide?
N'-but-1-en-2-ylmethanimidamide has a molecular weight of 98.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-ylmethanimidamide is sourced from PubChem (CID 143063401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).