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

C7H12N2 — CID 118900942

IUPACN-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide
SMILESC=C/N=C/N/C(C)=C\C
InChIInChI=1S/C7H12N2/c1-4-7(3)9-6-8-5-2/h4-6H,2H2,1,3H3,(H,8,9)/b7-4-
InChIKeySYUKKNJWZLRSOM-DAXSKMNVSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds3

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

N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide (PubChem CID 118900942) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide
PubChem CID118900942
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide
SMILESC=C/N=C/N/C(C)=C\C
InChIInChI=1S/C7H12N2/c1-4-7(3)9-6-8-5-2/h4-6H,2H2,1,3H3,(H,8,9)/b7-4-
InChIKeySYUKKNJWZLRSOM-DAXSKMNVSA-N
XLogP1.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.67
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'}

Analyze N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide
CID 170580907
N-(ethenyliminomethyl)carbamimidoyl iodide
CID 176527742
(Z)-N-ethenyl-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 147153115
N-[(3E)-5-bromo-3-cyanohexa-1,3,5-trien-2-yl]-N'-ethenylmethanimidamide
CID 142874050
buta-1,3-diene;ethane;N-ethenylethanimine
CID 142052316
(Z)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 142199904
N'-ethenyl-N-(2-methylprop-2-enylidene)methanimidamide
CID 167289862
(E)-N-ethenyl-1-(methylideneamino)prop-1-en-2-amine
CID 156715477
(Z)-3-ethenylimino-2-methylprop-1-en-1-amine
CID 88568702
ethane;N-ethenylethanimine;propane
CID 143338829
N-ethenyl-5-methylhexa-2,4-dien-1-imine
CID 91120080
(E)-N-ethenyl-3,4,4-trimethylpent-2-en-1-imine
CID 166788364

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide (CID 118900942) is N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide is C=C/N=C/N/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide?
The InChIKey is SYUKKNJWZLRSOM-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(3)9-6-8-5-2/h4-6H,2H2,1,3H3,(H,8,9)/b7-4-.
What are the key properties of N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide?
N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 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'-ethenylmethanimidamide is sourced from PubChem (CID 118900942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).