[(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium

C4H7N2O+ — CID 163598611

IUPAC[(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium
SMILESN/C=C\C(=[NH2+])C=O
InChIInChI=1S/C4H6N2O/c5-2-1-4(6)3-7/h1-3,6H,5H2/p+1/b2-1-,6-4?
InChIKeyGVQUJTWYLTXGTL-MYTBHKHNSA-O
MW99.11 g/mol
LogP-2.14
Rot. Bonds2

About [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium

[(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium (PubChem CID 163598611) has the molecular formula C4H7N2O+ and a molecular weight of 99.11 g/mol. Its IUPAC name is [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium.

Molecular Properties

Compound Name[(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium
PubChem CID163598611
Molecular FormulaC4H7N2O+
Molecular Weight99.11 g/mol
Exact Mass99.06
IUPAC Name[(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium
SMILESN/C=C\C(=[NH2+])C=O
InChIInChI=1S/C4H6N2O/c5-2-1-4(6)3-7/h1-3,6H,5H2/p+1/b2-1-,6-4?
InChIKeyGVQUJTWYLTXGTL-MYTBHKHNSA-O
XLogP-2.14
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium?
The IUPAC name of [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium (CID 163598611) is [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium.
What is the SMILES notation for [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium?
The canonical SMILES for [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium is N/C=C\C(=[NH2+])C=O.
What is the InChIKey of [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium?
The InChIKey is GVQUJTWYLTXGTL-MYTBHKHNSA-O. The full InChI is InChI=1S/C4H6N2O/c5-2-1-4(6)3-7/h1-3,6H,5H2/p+1/b2-1-,6-4?.
What are the key properties of [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium?
[(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium has a molecular weight of 99.11 g/mol, XLogP of -2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-amino-1-oxobut-3-en-2-ylidene]azanium is sourced from PubChem (CID 163598611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).