5-azido-1,1-dihydroxypentan-2-one

C5H9N3O3 — CID 151328078

IUPAC5-azido-1,1-dihydroxypentan-2-one
SMILES[N-]=[N+]=NCCCC(=O)C(O)O
InChIInChI=1S/C5H9N3O3/c6-8-7-3-1-2-4(9)5(10)11/h5,10-11H,1-3H2
InChIKeyOHWDEWVBLUSUNS-UHFFFAOYSA-N
MW159.15 g/mol
LogP-0.04
Rot. Bonds5

About 5-azido-1,1-dihydroxypentan-2-one

5-azido-1,1-dihydroxypentan-2-one (PubChem CID 151328078) has the molecular formula C5H9N3O3 and a molecular weight of 159.15 g/mol. Its IUPAC name is 5-azido-1,1-dihydroxypentan-2-one.

Molecular Properties

Compound Name5-azido-1,1-dihydroxypentan-2-one
PubChem CID151328078
Molecular FormulaC5H9N3O3
Molecular Weight159.15 g/mol
Exact Mass159.06
IUPAC Name5-azido-1,1-dihydroxypentan-2-one
SMILES[N-]=[N+]=NCCCC(=O)C(O)O
InChIInChI=1S/C5H9N3O3/c6-8-7-3-1-2-4(9)5(10)11/h5,10-11H,1-3H2
InChIKeyOHWDEWVBLUSUNS-UHFFFAOYSA-N
XLogP-0.04
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one
CID 141205114
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CID 11105514
1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574
(2S)-5-azidopentane-1,2-diol
CID 22854627
9-azidononanoic acid
CID 15230549
(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574815
(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979
6-azido-N-propan-2-ylhexanamide
CID 151413918
4-azido-N-(2-hydroxyethyl)-N-methylbutanamide
CID 59565923
16-azidohexadecan-2-one
CID 56624829
6-azidohexanoyl chloride
CID 14580383
(2S)-2-(4-azidobutanoylamino)propanoic acid
CID 168749789

Frequently Asked Questions

What is the IUPAC name of 5-azido-1,1-dihydroxypentan-2-one?
The IUPAC name of 5-azido-1,1-dihydroxypentan-2-one (CID 151328078) is 5-azido-1,1-dihydroxypentan-2-one.
What is the SMILES notation for 5-azido-1,1-dihydroxypentan-2-one?
The canonical SMILES for 5-azido-1,1-dihydroxypentan-2-one is [N-]=[N+]=NCCCC(=O)C(O)O.
What is the InChIKey of 5-azido-1,1-dihydroxypentan-2-one?
The InChIKey is OHWDEWVBLUSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c6-8-7-3-1-2-4(9)5(10)11/h5,10-11H,1-3H2.
What are the key properties of 5-azido-1,1-dihydroxypentan-2-one?
5-azido-1,1-dihydroxypentan-2-one has a molecular weight of 159.15 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1,1-dihydroxypentan-2-one is sourced from PubChem (CID 151328078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).