N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide

C7H10N2 — CID 166725971

IUPACN'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide
SMILESC#C/C=C(C)\N=C(/C)N
InChIInChI=1S/C7H10N2/c1-4-5-6(2)9-7(3)8/h1,5H,2-3H3,(H2,8,9)/b6-5-
InChIKeySVKUQPLALJVKQA-WAYWQWQTSA-N
MW122.17 g/mol
LogP0.90
Rot. Bonds1

About N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide

N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide (PubChem CID 166725971) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide
PubChem CID166725971
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide
SMILESC#C/C=C(C)\N=C(/C)N
InChIInChI=1S/C7H10N2/c1-4-5-6(2)9-7(3)8/h1,5H,2-3H3,(H2,8,9)/b6-5-
InChIKeySVKUQPLALJVKQA-WAYWQWQTSA-N
XLogP0.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 88943771
N'-[(Z)-but-2-en-2-yl]ethanimidamide
CID 89771603
N'-prop-1-en-2-ylethanimidamide
CID 91563328
N'-but-2-en-2-ylethanimidamide
CID 123628782
(Z)-N'-prop-1-en-2-ylbut-2-enimidamide
CID 124005322
(Z)-3-amino-N'-prop-1-en-2-ylbut-2-enimidamide
CID 129196438
N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide
CID 129196479
(Z)-3-amino-N'-methylbut-2-enimidamide
CID 130296042
N'-[(Z)-but-2-en-2-yl]ethanimidamide;ethane
CID 141937188
N'-[(Z)-but-2-en-2-yl]prop-2-enimidamide
CID 142136358
3-amino-N'-methylbut-2-enimidamide
CID 148571493
N'-[(E)-but-2-en-2-yl]propanimidamide
CID 155397026

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide?
The IUPAC name of N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide (CID 166725971) is N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide?
The canonical SMILES for N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide is C#C/C=C(C)\N=C(/C)N.
What is the InChIKey of N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide?
The InChIKey is SVKUQPLALJVKQA-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10N2/c1-4-5-6(2)9-7(3)8/h1,5H,2-3H3,(H2,8,9)/b6-5-.
What are the key properties of N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide?
N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide has a molecular weight of 122.17 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-pent-2-en-4-yn-2-yl]ethanimidamide is sourced from PubChem (CID 166725971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).