2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide

C10H16N4O2 — CID 121203551

IUPAC2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide
SMILES[N-]=[N+]=NCC(=O)N(C1CCOCC1)C1CC1
InChIInChI=1S/C10H16N4O2/c11-13-12-7-10(15)14(8-1-2-8)9-3-5-16-6-4-9/h8-9H,1-7H2
InChIKeyKBNNMFYTDHOTFX-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.47
Rot. Bonds4

About 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide

2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide (PubChem CID 121203551) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide
PubChem CID121203551
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide
SMILES[N-]=[N+]=NCC(=O)N(C1CCOCC1)C1CC1
InChIInChI=1S/C10H16N4O2/c11-13-12-7-10(15)14(8-1-2-8)9-3-5-16-6-4-9/h8-9H,1-7H2
InChIKeyKBNNMFYTDHOTFX-UHFFFAOYSA-N
XLogP1.47
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide (CID 121203551) is 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide is [N-]=[N+]=NCC(=O)N(C1CCOCC1)C1CC1.
What is the InChIKey of 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide?
The InChIKey is KBNNMFYTDHOTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-13-12-7-10(15)14(8-1-2-8)9-3-5-16-6-4-9/h8-9H,1-7H2.
What are the key properties of 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide?
2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide has a molecular weight of 224.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-cyclopropyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 121203551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).