N'-prop-2-enylbut-3-enimidamide

C7H12N2 — CID 87174806

IUPACN'-prop-2-enylbut-3-enimidamide
SMILESC=CC/N=C(/N)CC=C
InChIInChI=1S/C7H12N2/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9)
InChIKeyVUZCYJRXXQLCBF-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds4

About N'-prop-2-enylbut-3-enimidamide

N'-prop-2-enylbut-3-enimidamide (PubChem CID 87174806) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-prop-2-enylbut-3-enimidamide.

Molecular Properties

Compound NameN'-prop-2-enylbut-3-enimidamide
PubChem CID87174806
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-prop-2-enylbut-3-enimidamide
SMILESC=CC/N=C(/N)CC=C
InChIInChI=1S/C7H12N2/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9)
InChIKeyVUZCYJRXXQLCBF-UHFFFAOYSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.11
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enylbut-3-enimidamide?
The IUPAC name of N'-prop-2-enylbut-3-enimidamide (CID 87174806) is N'-prop-2-enylbut-3-enimidamide.
What is the SMILES notation for N'-prop-2-enylbut-3-enimidamide?
The canonical SMILES for N'-prop-2-enylbut-3-enimidamide is C=CC/N=C(/N)CC=C.
What is the InChIKey of N'-prop-2-enylbut-3-enimidamide?
The InChIKey is VUZCYJRXXQLCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9).
What are the key properties of N'-prop-2-enylbut-3-enimidamide?
N'-prop-2-enylbut-3-enimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enylbut-3-enimidamide is sourced from PubChem (CID 87174806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).