N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide

C6H10N2 — CID 130280409

IUPACN'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(C)=C\C
InChIInChI=1S/C6H10N2/c1-4-6(2)8-5-7-3/h4-5H,3H2,1-2H3/b6-4-,8-5+
InChIKeyUQXKWRKHUZLPTQ-QXMOYCCXSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds2

About N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide

N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide (PubChem CID 130280409) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide
PubChem CID130280409
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(C)=C\C
InChIInChI=1S/C6H10N2/c1-4-6(2)8-5-7-3/h4-5H,3H2,1-2H3/b6-4-,8-5+
InChIKeyUQXKWRKHUZLPTQ-QXMOYCCXSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
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'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide (CID 130280409) is N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide is C=N/C=N/C(C)=C\C.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide?
The InChIKey is UQXKWRKHUZLPTQ-QXMOYCCXSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-6(2)8-5-7-3/h4-5H,3H2,1-2H3/b6-4-,8-5+.
What are the key properties of N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide?
N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide is sourced from PubChem (CID 130280409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).