[(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium

C5H10N3+ — CID 142029952

IUPAC[(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium
SMILES[H]/N=C/C(C)=C\C(N)=[NH2+]
InChIInChI=1S/C5H9N3/c1-4(3-6)2-5(7)8/h2-3,6H,1H3,(H3,7,8)/p+1/b4-2-,6-3+
InChIKeyRFIOBIYHUACARZ-MDNDHVJUSA-O
MW112.16 g/mol
LogP-1.30
Rot. Bonds2

About [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium

[(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium (PubChem CID 142029952) has the molecular formula C5H10N3+ and a molecular weight of 112.16 g/mol. Its IUPAC name is [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium.

Molecular Properties

Compound Name[(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium
PubChem CID142029952
Molecular FormulaC5H10N3+
Molecular Weight112.16 g/mol
Exact Mass112.09
IUPAC Name[(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium
SMILES[H]/N=C/C(C)=C\C(N)=[NH2+]
InChIInChI=1S/C5H9N3/c1-4(3-6)2-5(7)8/h2-3,6H,1H3,(H3,7,8)/p+1/b4-2-,6-3+
InChIKeyRFIOBIYHUACARZ-MDNDHVJUSA-O
XLogP-1.30
TPSA75.46 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.16
LogP ≤ 5-1.30
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium?
The IUPAC name of [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium (CID 142029952) is [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium.
What is the SMILES notation for [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium?
The canonical SMILES for [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium is [H]/N=C/C(C)=C\C(N)=[NH2+].
What is the InChIKey of [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium?
The InChIKey is RFIOBIYHUACARZ-MDNDHVJUSA-O. The full InChI is InChI=1S/C5H9N3/c1-4(3-6)2-5(7)8/h2-3,6H,1H3,(H3,7,8)/p+1/b4-2-,6-3+.
What are the key properties of [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium?
[(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium has a molecular weight of 112.16 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-amino-4-imino-3-methylbut-2-enylidene]azanium is sourced from PubChem (CID 142029952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).