(Z)-but-2-enediamide

C4H6N2O2 — CID 5355656

IUPAC(Z)-but-2-enediamide
SMILESNC(=O)/C=C\C(N)=O
InChIInChI=1S/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)/b2-1-
InChIKeyBSSNZUFKXJJCBG-UPHRSURJSA-N
MW114.10 g/mol
LogP-1.49
Rot. Bonds2

About (Z)-but-2-enediamide

(Z)-but-2-enediamide (PubChem CID 5355656) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is (Z)-but-2-enediamide.

Molecular Properties

Compound Name(Z)-but-2-enediamide
PubChem CID5355656
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name(Z)-but-2-enediamide
SMILESNC(=O)/C=C\C(N)=O
InChIInChI=1S/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)/b2-1-
InChIKeyBSSNZUFKXJJCBG-UPHRSURJSA-N
XLogP-1.49
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enediamide?
The IUPAC name of (Z)-but-2-enediamide (CID 5355656) is (Z)-but-2-enediamide.
What is the SMILES notation for (Z)-but-2-enediamide?
The canonical SMILES for (Z)-but-2-enediamide is NC(=O)/C=C\C(N)=O.
What is the InChIKey of (Z)-but-2-enediamide?
The InChIKey is BSSNZUFKXJJCBG-UPHRSURJSA-N. The full InChI is InChI=1S/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)/b2-1-.
What are the key properties of (Z)-but-2-enediamide?
(Z)-but-2-enediamide has a molecular weight of 114.10 g/mol, XLogP of -1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enediamide is sourced from PubChem (CID 5355656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).