N'-but-2-en-2-ylethanimidamide

C6H12N2 — CID 123628782

IUPACN'-but-2-en-2-ylethanimidamide
SMILESCC=C(C)/N=C(\C)N
InChIInChI=1S/C6H12N2/c1-4-5(2)8-6(3)7/h4H,1-3H3,(H2,7,8)
InChIKeyPVQKWDGHPINIQB-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.29
Rot. Bonds1

About N'-but-2-en-2-ylethanimidamide

N'-but-2-en-2-ylethanimidamide (PubChem CID 123628782) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-but-2-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-but-2-en-2-ylethanimidamide
PubChem CID123628782
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-but-2-en-2-ylethanimidamide
SMILESCC=C(C)/N=C(\C)N
InChIInChI=1S/C6H12N2/c1-4-5(2)8-6(3)7/h4H,1-3H3,(H2,7,8)
InChIKeyPVQKWDGHPINIQB-UHFFFAOYSA-N
XLogP1.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.29
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-2-en-2-ylethanimidamide?
The IUPAC name of N'-but-2-en-2-ylethanimidamide (CID 123628782) is N'-but-2-en-2-ylethanimidamide.
What is the SMILES notation for N'-but-2-en-2-ylethanimidamide?
The canonical SMILES for N'-but-2-en-2-ylethanimidamide is CC=C(C)/N=C(\C)N.
What is the InChIKey of N'-but-2-en-2-ylethanimidamide?
The InChIKey is PVQKWDGHPINIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5(2)8-6(3)7/h4H,1-3H3,(H2,7,8).
What are the key properties of N'-but-2-en-2-ylethanimidamide?
N'-but-2-en-2-ylethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-en-2-ylethanimidamide is sourced from PubChem (CID 123628782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).