5-azido-1-diazopentan-2-one

C5H7N5O — CID 163214883

IUPAC5-azido-1-diazopentan-2-one
SMILES[N-]=[N+]=CC(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C5H7N5O/c6-8-4-5(11)2-1-3-9-10-7/h4H,1-3H2
InChIKeySFTBUPPNKDBMRW-UHFFFAOYSA-N
MW153.15 g/mol
LogP0.95
Rot. Bonds5

About 5-azido-1-diazopentan-2-one

5-azido-1-diazopentan-2-one (PubChem CID 163214883) has the molecular formula C5H7N5O and a molecular weight of 153.15 g/mol. Its IUPAC name is 5-azido-1-diazopentan-2-one.

Molecular Properties

Compound Name5-azido-1-diazopentan-2-one
PubChem CID163214883
Molecular FormulaC5H7N5O
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Name5-azido-1-diazopentan-2-one
SMILES[N-]=[N+]=CC(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C5H7N5O/c6-8-4-5(11)2-1-3-9-10-7/h4H,1-3H2
InChIKeySFTBUPPNKDBMRW-UHFFFAOYSA-N
XLogP0.95
TPSA102.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-azido-1-diazopentan-2-one?
The IUPAC name of 5-azido-1-diazopentan-2-one (CID 163214883) is 5-azido-1-diazopentan-2-one.
What is the SMILES notation for 5-azido-1-diazopentan-2-one?
The canonical SMILES for 5-azido-1-diazopentan-2-one is [N-]=[N+]=CC(=O)CCCN=[N+]=[N-].
What is the InChIKey of 5-azido-1-diazopentan-2-one?
The InChIKey is SFTBUPPNKDBMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c6-8-4-5(11)2-1-3-9-10-7/h4H,1-3H2.
What are the key properties of 5-azido-1-diazopentan-2-one?
5-azido-1-diazopentan-2-one has a molecular weight of 153.15 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1-diazopentan-2-one is sourced from PubChem (CID 163214883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).