(E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide

C9H14N2 — CID 123263863

IUPAC(E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide
SMILESC=C/N=C(N)/C=C(\C)C1CC1
InChIInChI=1S/C9H14N2/c1-3-11-9(10)6-7(2)8-4-5-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)/b7-6+
InChIKeyKRKVIMAYUCBUKD-VOTSOKGWSA-N
MW150.22 g/mol
LogP1.84
Rot. Bonds3

About (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide

(E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide (PubChem CID 123263863) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide
PubChem CID123263863
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide
SMILESC=C/N=C(N)/C=C(\C)C1CC1
InChIInChI=1S/C9H14N2/c1-3-11-9(10)6-7(2)8-4-5-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)/b7-6+
InChIKeyKRKVIMAYUCBUKD-VOTSOKGWSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.84
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 (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide?
The IUPAC name of (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide (CID 123263863) is (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide.
What is the SMILES notation for (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide?
The canonical SMILES for (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide is C=C/N=C(N)/C=C(\C)C1CC1.
What is the InChIKey of (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide?
The InChIKey is KRKVIMAYUCBUKD-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-11-9(10)6-7(2)8-4-5-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)/b7-6+.
What are the key properties of (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide?
(E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide has a molecular weight of 150.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-N'-ethenylbut-2-enimidamide is sourced from PubChem (CID 123263863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).