2-iminobut-3-enamide

C4H6N2O — CID 135850706

IUPAC2-iminobut-3-enamide
SMILES[H]/N=C(\C=C)C(N)=O
InChIInChI=1S/C4H6N2O/c1-2-3(5)4(6)7/h2,5H,1H2,(H2,6,7)/b5-3+
InChIKeyDNIQZPKMAONKIA-HWKANZROSA-N
MW98.10 g/mol
LogP-0.32
Rot. Bonds2

About 2-iminobut-3-enamide

2-iminobut-3-enamide (PubChem CID 135850706) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 2-iminobut-3-enamide.

Molecular Properties

Compound Name2-iminobut-3-enamide
PubChem CID135850706
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name2-iminobut-3-enamide
SMILES[H]/N=C(\C=C)C(N)=O
InChIInChI=1S/C4H6N2O/c1-2-3(5)4(6)7/h2,5H,1H2,(H2,6,7)/b5-3+
InChIKeyDNIQZPKMAONKIA-HWKANZROSA-N
XLogP-0.32
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iminobut-3-enamide?
The IUPAC name of 2-iminobut-3-enamide (CID 135850706) is 2-iminobut-3-enamide.
What is the SMILES notation for 2-iminobut-3-enamide?
The canonical SMILES for 2-iminobut-3-enamide is [H]/N=C(\C=C)C(N)=O.
What is the InChIKey of 2-iminobut-3-enamide?
The InChIKey is DNIQZPKMAONKIA-HWKANZROSA-N. The full InChI is InChI=1S/C4H6N2O/c1-2-3(5)4(6)7/h2,5H,1H2,(H2,6,7)/b5-3+.
What are the key properties of 2-iminobut-3-enamide?
2-iminobut-3-enamide has a molecular weight of 98.10 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminobut-3-enamide is sourced from PubChem (CID 135850706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).