2-diazopent-3-enamide

C5H7N3O — CID 137252952

IUPAC2-diazopent-3-enamide
SMILESCC=CC(=[N+]=[N-])C(N)=O
InChIInChI=1S/C5H7N3O/c1-2-3-4(8-7)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyFVTRTRNPKYPQGG-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.28
Rot. Bonds2

About 2-diazopent-3-enamide

2-diazopent-3-enamide (PubChem CID 137252952) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-diazopent-3-enamide.

Molecular Properties

Compound Name2-diazopent-3-enamide
PubChem CID137252952
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-diazopent-3-enamide
SMILESCC=CC(=[N+]=[N-])C(N)=O
InChIInChI=1S/C5H7N3O/c1-2-3-4(8-7)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyFVTRTRNPKYPQGG-UHFFFAOYSA-N
XLogP-0.28
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazopent-3-enamide?
The IUPAC name of 2-diazopent-3-enamide (CID 137252952) is 2-diazopent-3-enamide.
What is the SMILES notation for 2-diazopent-3-enamide?
The canonical SMILES for 2-diazopent-3-enamide is CC=CC(=[N+]=[N-])C(N)=O.
What is the InChIKey of 2-diazopent-3-enamide?
The InChIKey is FVTRTRNPKYPQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-2-3-4(8-7)5(6)9/h2-3H,1H3,(H2,6,9).
What are the key properties of 2-diazopent-3-enamide?
2-diazopent-3-enamide has a molecular weight of 125.13 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazopent-3-enamide is sourced from PubChem (CID 137252952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).