N-[(Z)-but-2-en-2-yl]iminoethanimidamide

C6H11N3 — CID 58731108

IUPACN-[(Z)-but-2-en-2-yl]iminoethanimidamide
SMILES[H]/N=C(C)/N=N/C(C)=C\C
InChIInChI=1S/C6H11N3/c1-4-5(2)8-9-6(3)7/h4,7H,1-3H3/b5-4-,7-6+,9-8+
InChIKeyXVSBUMZPUPERRB-AYTOVCQNSA-N
MW125.17 g/mol
LogP2.36
Rot. Bonds1

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

N-[(Z)-but-2-en-2-yl]iminoethanimidamide (PubChem CID 58731108) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]iminoethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]iminoethanimidamide
PubChem CID58731108
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-[(Z)-but-2-en-2-yl]iminoethanimidamide
SMILES[H]/N=C(C)/N=N/C(C)=C\C
InChIInChI=1S/C6H11N3/c1-4-5(2)8-9-6(3)7/h4,7H,1-3H3/b5-4-,7-6+,9-8+
InChIKeyXVSBUMZPUPERRB-AYTOVCQNSA-N
XLogP2.36
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-N-ethylidenepent-3-ene-2,4-diimine
CID 154517180
1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine
CID 139439361
N-oxoethanimidamide
CID 134954797
(N-ethanimidoyl-C-methylcarbonimidoyl)azanide
CID 102169739
2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane
CID 143774568
N-[1-(dimethylamino)ethylidene]ethanimidamide
CID 88533812
N-pentylideneethanimidamide
CID 153377709
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
(E)-4-imino-2-methylpent-2-enenitrile
CID 145089299
[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium
CID 143477267
1-(aziridin-1-yl)-3-[(Z)-but-2-en-2-yl]imino-2-iminopropan-1-one
CID 171535034
(Z)-4-iminopent-2-en-3-amine
CID 147180053

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]iminoethanimidamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]iminoethanimidamide (CID 58731108) is N-[(Z)-but-2-en-2-yl]iminoethanimidamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]iminoethanimidamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]iminoethanimidamide is [H]/N=C(C)/N=N/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]iminoethanimidamide?
The InChIKey is XVSBUMZPUPERRB-AYTOVCQNSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(2)8-9-6(3)7/h4,7H,1-3H3/b5-4-,7-6+,9-8+.
What are the key properties of N-[(Z)-but-2-en-2-yl]iminoethanimidamide?
N-[(Z)-but-2-en-2-yl]iminoethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]iminoethanimidamide is sourced from PubChem (CID 58731108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).