(E)-N'-carbamimidoylbut-2-enimidamide

C5H10N4 — CID 123689049

IUPAC(E)-N'-carbamimidoylbut-2-enimidamide
SMILES[H]/N=C(\N)N=C(N)/C=C/C
InChIInChI=1S/C5H10N4/c1-2-3-4(6)9-5(7)8/h2-3H,1H3,(H5,6,7,8,9)/b3-2+
InChIKeyYMFUBJWSECZLSJ-NSCUHMNNSA-N
MW126.16 g/mol
LogP-0.19
Rot. Bonds1

About (E)-N'-carbamimidoylbut-2-enimidamide

(E)-N'-carbamimidoylbut-2-enimidamide (PubChem CID 123689049) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is (E)-N'-carbamimidoylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-carbamimidoylbut-2-enimidamide
PubChem CID123689049
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name(E)-N'-carbamimidoylbut-2-enimidamide
SMILES[H]/N=C(\N)N=C(N)/C=C/C
InChIInChI=1S/C5H10N4/c1-2-3-4(6)9-5(7)8/h2-3H,1H3,(H5,6,7,8,9)/b3-2+
InChIKeyYMFUBJWSECZLSJ-NSCUHMNNSA-N
XLogP-0.19
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
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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Related Compounds

Vinylenformamidin
CID 129631635
2,5-Bis(imino)pyrrole
CID 55290025
(Z)-N'-(1-fluoroethyl)but-2-enimidamide
CID 163829755
(E)-but-2-enimidamide
CID 21675747
But-2-enimidamide
CID 53713293
(Z)-N'-methylbut-2-enimidamide
CID 57611968
N'-methylprop-2-enimidamide
CID 58774648
(Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide
CID 89011161
(2Z)-N'-methylhexa-2,4-dienimidamide
CID 89017380
(Z)-N'-ethynylbut-2-enimidamide
CID 89166309
(Z)-N'-methanimidoylbut-2-enimidamide
CID 89266194
(Z)-but-2-enimidamide
CID 91333762

Frequently Asked Questions

What is the IUPAC name of (E)-N'-carbamimidoylbut-2-enimidamide?
The IUPAC name of (E)-N'-carbamimidoylbut-2-enimidamide (CID 123689049) is (E)-N'-carbamimidoylbut-2-enimidamide.
What is the SMILES notation for (E)-N'-carbamimidoylbut-2-enimidamide?
The canonical SMILES for (E)-N'-carbamimidoylbut-2-enimidamide is [H]/N=C(\N)N=C(N)/C=C/C.
What is the InChIKey of (E)-N'-carbamimidoylbut-2-enimidamide?
The InChIKey is YMFUBJWSECZLSJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-3-4(6)9-5(7)8/h2-3H,1H3,(H5,6,7,8,9)/b3-2+.
What are the key properties of (E)-N'-carbamimidoylbut-2-enimidamide?
(E)-N'-carbamimidoylbut-2-enimidamide has a molecular weight of 126.16 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-carbamimidoylbut-2-enimidamide is sourced from PubChem (CID 123689049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).