ethene;hex-3-enediamide

C8H14N2O2 — CID 173451408

IUPACethene;hex-3-enediamide
SMILESC=C.NC(=O)CC=CCC(N)=O
InChIInChI=1S/C6H10N2O2.C2H4/c7-5(9)3-1-2-4-6(8)10;1-2/h1-2H,3-4H2,(H2,7,9)(H2,8,10);1-2H2
InChIKeyOOGUSADJMFOOQJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.10
Rot. Bonds4

About ethene;hex-3-enediamide

ethene;hex-3-enediamide (PubChem CID 173451408) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethene;hex-3-enediamide.

Molecular Properties

Compound Nameethene;hex-3-enediamide
PubChem CID173451408
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethene;hex-3-enediamide
SMILESC=C.NC(=O)CC=CCC(N)=O
InChIInChI=1S/C6H10N2O2.C2H4/c7-5(9)3-1-2-4-6(8)10;1-2/h1-2H,3-4H2,(H2,7,9)(H2,8,10);1-2H2
InChIKeyOOGUSADJMFOOQJ-UHFFFAOYSA-N
XLogP0.10
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 144930358
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Frequently Asked Questions

What is the IUPAC name of ethene;hex-3-enediamide?
The IUPAC name of ethene;hex-3-enediamide (CID 173451408) is ethene;hex-3-enediamide.
What is the SMILES notation for ethene;hex-3-enediamide?
The canonical SMILES for ethene;hex-3-enediamide is C=C.NC(=O)CC=CCC(N)=O.
What is the InChIKey of ethene;hex-3-enediamide?
The InChIKey is OOGUSADJMFOOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.C2H4/c7-5(9)3-1-2-4-6(8)10;1-2/h1-2H,3-4H2,(H2,7,9)(H2,8,10);1-2H2.
What are the key properties of ethene;hex-3-enediamide?
ethene;hex-3-enediamide has a molecular weight of 170.21 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;hex-3-enediamide is sourced from PubChem (CID 173451408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).