2-ethenyl-2-formamidopent-4-enamide

C8H12N2O2 — CID 173137605

IUPAC2-ethenyl-2-formamidopent-4-enamide
SMILESC=CCC(C=C)(NC=O)C(N)=O
InChIInChI=1S/C8H12N2O2/c1-3-5-8(4-2,7(9)12)10-6-11/h3-4,6H,1-2,5H2,(H2,9,12)(H,10,11)
InChIKeySBNVLICWVMAIIT-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.28
Rot. Bonds6

About 2-ethenyl-2-formamidopent-4-enamide

2-ethenyl-2-formamidopent-4-enamide (PubChem CID 173137605) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-ethenyl-2-formamidopent-4-enamide.

Molecular Properties

Compound Name2-ethenyl-2-formamidopent-4-enamide
PubChem CID173137605
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-ethenyl-2-formamidopent-4-enamide
SMILESC=CCC(C=C)(NC=O)C(N)=O
InChIInChI=1S/C8H12N2O2/c1-3-5-8(4-2,7(9)12)10-6-11/h3-4,6H,1-2,5H2,(H2,9,12)(H,10,11)
InChIKeySBNVLICWVMAIIT-UHFFFAOYSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-formamidopent-4-enamide?
The IUPAC name of 2-ethenyl-2-formamidopent-4-enamide (CID 173137605) is 2-ethenyl-2-formamidopent-4-enamide.
What is the SMILES notation for 2-ethenyl-2-formamidopent-4-enamide?
The canonical SMILES for 2-ethenyl-2-formamidopent-4-enamide is C=CCC(C=C)(NC=O)C(N)=O.
What is the InChIKey of 2-ethenyl-2-formamidopent-4-enamide?
The InChIKey is SBNVLICWVMAIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-5-8(4-2,7(9)12)10-6-11/h3-4,6H,1-2,5H2,(H2,9,12)(H,10,11).
What are the key properties of 2-ethenyl-2-formamidopent-4-enamide?
2-ethenyl-2-formamidopent-4-enamide has a molecular weight of 168.20 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-formamidopent-4-enamide is sourced from PubChem (CID 173137605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).