(Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide

C7H12N2 — CID 91236794

IUPAC(Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide
SMILESC/C=C\N=C(N)\C=C/C
InChIInChI=1S/C7H12N2/c1-3-5-7(8)9-6-4-2/h3-6H,1-2H3,(H2,8,9)/b5-3-,6-4-
InChIKeyMJQAPBHAWWFCDO-GLIMQPGKSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

About (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide

(Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide (PubChem CID 91236794) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide
PubChem CID91236794
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide
SMILESC/C=C\N=C(N)\C=C/C
InChIInChI=1S/C7H12N2/c1-3-5-7(8)9-6-4-2/h3-6H,1-2H3,(H2,8,9)/b5-3-,6-4-
InChIKeyMJQAPBHAWWFCDO-GLIMQPGKSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide?
The IUPAC name of (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide (CID 91236794) is (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide?
The canonical SMILES for (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide is C/C=C\N=C(N)\C=C/C.
What is the InChIKey of (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide?
The InChIKey is MJQAPBHAWWFCDO-GLIMQPGKSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-7(8)9-6-4-2/h3-6H,1-2H3,(H2,8,9)/b5-3-,6-4-.
What are the key properties of (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide?
(Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide is sourced from PubChem (CID 91236794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).