(2-azido-4-phenylmethoxycyclopentyl) acetate

C14H17N3O3 — CID 126646228

IUPAC(2-azido-4-phenylmethoxycyclopentyl) acetate
SMILESCC(=O)OC1CC(OCc2ccccc2)CC1N=[N+]=[N-]
InChIInChI=1S/C14H17N3O3/c1-10(18)20-14-8-12(7-13(14)16-17-15)19-9-11-5-3-2-4-6-11/h2-6,12-14H,7-9H2,1H3
InChIKeyFUUXFSGNJANOFE-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.98
Rot. Bonds5

About (2-azido-4-phenylmethoxycyclopentyl) acetate

(2-azido-4-phenylmethoxycyclopentyl) acetate (PubChem CID 126646228) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2-azido-4-phenylmethoxycyclopentyl) acetate.

Molecular Properties

Compound Name(2-azido-4-phenylmethoxycyclopentyl) acetate
PubChem CID126646228
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2-azido-4-phenylmethoxycyclopentyl) acetate
SMILESCC(=O)OC1CC(OCc2ccccc2)CC1N=[N+]=[N-]
InChIInChI=1S/C14H17N3O3/c1-10(18)20-14-8-12(7-13(14)16-17-15)19-9-11-5-3-2-4-6-11/h2-6,12-14H,7-9H2,1H3
InChIKeyFUUXFSGNJANOFE-UHFFFAOYSA-N
XLogP2.98
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-4-phenylmethoxycyclopentyl) acetate?
The IUPAC name of (2-azido-4-phenylmethoxycyclopentyl) acetate (CID 126646228) is (2-azido-4-phenylmethoxycyclopentyl) acetate.
What is the SMILES notation for (2-azido-4-phenylmethoxycyclopentyl) acetate?
The canonical SMILES for (2-azido-4-phenylmethoxycyclopentyl) acetate is CC(=O)OC1CC(OCc2ccccc2)CC1N=[N+]=[N-].
What is the InChIKey of (2-azido-4-phenylmethoxycyclopentyl) acetate?
The InChIKey is FUUXFSGNJANOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(18)20-14-8-12(7-13(14)16-17-15)19-9-11-5-3-2-4-6-11/h2-6,12-14H,7-9H2,1H3.
What are the key properties of (2-azido-4-phenylmethoxycyclopentyl) acetate?
(2-azido-4-phenylmethoxycyclopentyl) acetate has a molecular weight of 275.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azido-4-phenylmethoxycyclopentyl) acetate is sourced from PubChem (CID 126646228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).