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

C7H10N2 — CID 145237999

IUPACN'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide
SMILESC#C/C(N)=N\C(C)=C/C
InChIInChI=1S/C7H10N2/c1-4-6(3)9-7(8)5-2/h2,4H,1,3H3,(H2,8,9)/b6-4-
InChIKeyBIUBDKXBTVHGOO-XQRVVYSFSA-N
MW122.17 g/mol
LogP0.90
Rot. Bonds1

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

N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide (PubChem CID 145237999) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide
PubChem CID145237999
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide
SMILESC#C/C(N)=N\C(C)=C/C
InChIInChI=1S/C7H10N2/c1-4-6(3)9-7(8)5-2/h2,4H,1,3H3,(H2,8,9)/b6-4-
InChIKeyBIUBDKXBTVHGOO-XQRVVYSFSA-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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide (CID 145237999) is N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide is C#C/C(N)=N\C(C)=C/C.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide?
The InChIKey is BIUBDKXBTVHGOO-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H10N2/c1-4-6(3)9-7(8)5-2/h2,4H,1,3H3,(H2,8,9)/b6-4-.
What are the key properties of N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide?
N'-[(Z)-but-2-en-2-yl]prop-2-ynimidamide 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)-but-2-en-2-yl]prop-2-ynimidamide is sourced from PubChem (CID 145237999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).