(Z)-pent-2-enediamide

C5H8N2O2 — CID 137322703

IUPAC(Z)-pent-2-enediamide
SMILESNC(=O)/C=C\CC(N)=O
InChIInChI=1S/C5H8N2O2/c6-4(8)2-1-3-5(7)9/h1-2H,3H2,(H2,6,8)(H2,7,9)/b2-1-
InChIKeyXIZGHTQDCULLAQ-UPHRSURJSA-N
MW128.13 g/mol
LogP-1.10
Rot. Bonds3

About (Z)-pent-2-enediamide

(Z)-pent-2-enediamide (PubChem CID 137322703) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (Z)-pent-2-enediamide.

Molecular Properties

Compound Name(Z)-pent-2-enediamide
PubChem CID137322703
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(Z)-pent-2-enediamide
SMILESNC(=O)/C=C\CC(N)=O
InChIInChI=1S/C5H8N2O2/c6-4(8)2-1-3-5(7)9/h1-2H,3H2,(H2,6,8)(H2,7,9)/b2-1-
InChIKeyXIZGHTQDCULLAQ-UPHRSURJSA-N
XLogP-1.10
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.10
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)-pent-2-enediamide?
The IUPAC name of (Z)-pent-2-enediamide (CID 137322703) is (Z)-pent-2-enediamide.
What is the SMILES notation for (Z)-pent-2-enediamide?
The canonical SMILES for (Z)-pent-2-enediamide is NC(=O)/C=C\CC(N)=O.
What is the InChIKey of (Z)-pent-2-enediamide?
The InChIKey is XIZGHTQDCULLAQ-UPHRSURJSA-N. The full InChI is InChI=1S/C5H8N2O2/c6-4(8)2-1-3-5(7)9/h1-2H,3H2,(H2,6,8)(H2,7,9)/b2-1-.
What are the key properties of (Z)-pent-2-enediamide?
(Z)-pent-2-enediamide has a molecular weight of 128.13 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pent-2-enediamide is sourced from PubChem (CID 137322703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).