4-(3-azidopropyl)morpholin-3-one

C7H12N4O2 — CID 79468398

IUPAC4-(3-azidopropyl)morpholin-3-one
SMILES[N-]=[N+]=NCCCN1CCOCC1=O
InChIInChI=1S/C7H12N4O2/c8-10-9-2-1-3-11-4-5-13-6-7(11)12/h1-6H2
InChIKeyGGWPGIVLTOVVPB-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.55
Rot. Bonds4

About 4-(3-azidopropyl)morpholin-3-one

4-(3-azidopropyl)morpholin-3-one (PubChem CID 79468398) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-(3-azidopropyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-azidopropyl)morpholin-3-one
PubChem CID79468398
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-(3-azidopropyl)morpholin-3-one
SMILES[N-]=[N+]=NCCCN1CCOCC1=O
InChIInChI=1S/C7H12N4O2/c8-10-9-2-1-3-11-4-5-13-6-7(11)12/h1-6H2
InChIKeyGGWPGIVLTOVVPB-UHFFFAOYSA-N
XLogP0.55
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azidopropyl)morpholin-3-one?
The IUPAC name of 4-(3-azidopropyl)morpholin-3-one (CID 79468398) is 4-(3-azidopropyl)morpholin-3-one.
What is the SMILES notation for 4-(3-azidopropyl)morpholin-3-one?
The canonical SMILES for 4-(3-azidopropyl)morpholin-3-one is [N-]=[N+]=NCCCN1CCOCC1=O.
What is the InChIKey of 4-(3-azidopropyl)morpholin-3-one?
The InChIKey is GGWPGIVLTOVVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-10-9-2-1-3-11-4-5-13-6-7(11)12/h1-6H2.
What are the key properties of 4-(3-azidopropyl)morpholin-3-one?
4-(3-azidopropyl)morpholin-3-one has a molecular weight of 184.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidopropyl)morpholin-3-one is sourced from PubChem (CID 79468398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).