CID 91225764

C16H23NO4 — CID 91225764

IUPAC—
SMILESO=NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H23NO4/c18-17-14-1-3-15(4-2-14)19-16(21-20-15)12-6-10-5-11(8-12)9-13(16)7-10/h10-14H,1-9H2
InChIKeyODDIPGODJTWMPP-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.52
Rot. Bonds1

About CID 91225764

CID 91225764 (PubChem CID 91225764) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol.

Molecular Properties

Compound NameCID 91225764
PubChem CID91225764
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name—
SMILESO=NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H23NO4/c18-17-14-1-3-15(4-2-14)19-16(21-20-15)12-6-10-5-11(8-12)9-13(16)7-10/h10-14H,1-9H2
InChIKeyODDIPGODJTWMPP-UHFFFAOYSA-N
XLogP3.52
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 91225764?
The IUPAC name of CID 91225764 (CID 91225764) is not available.
What is the SMILES notation for CID 91225764?
The canonical SMILES for CID 91225764 is O=NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 91225764?
The InChIKey is ODDIPGODJTWMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-17-14-1-3-15(4-2-14)19-16(21-20-15)12-6-10-5-11(8-12)9-13(16)7-10/h10-14H,1-9H2.
What are the key properties of CID 91225764?
CID 91225764 has a molecular weight of 293.36 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91225764 is sourced from PubChem (CID 91225764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).