CID 122189271

C18H27NO5 — CID 122189271

IUPAC—
SMILESO=C(NO)C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27NO5/c20-16(19-21)13-1-3-17(4-2-13)22-10-18(24-23-17)14-6-11-5-12(8-14)9-15(18)7-11/h11-15,21H,1-10H2,(H,19,20)
InChIKeyPOMPXAFWNWEYED-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.55
Rot. Bonds1

About CID 122189271

CID 122189271 (PubChem CID 122189271) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol.

Molecular Properties

Compound NameCID 122189271
PubChem CID122189271
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name—
SMILESO=C(NO)C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27NO5/c20-16(19-21)13-1-3-17(4-2-13)22-10-18(24-23-17)14-6-11-5-12(8-14)9-15(18)7-11/h11-15,21H,1-10H2,(H,19,20)
InChIKeyPOMPXAFWNWEYED-UHFFFAOYSA-N
XLogP2.55
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 122189271?
The IUPAC name of CID 122189271 (CID 122189271) is not available.
What is the SMILES notation for CID 122189271?
The canonical SMILES for CID 122189271 is O=C(NO)C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 122189271?
The InChIKey is POMPXAFWNWEYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c20-16(19-21)13-1-3-17(4-2-13)22-10-18(24-23-17)14-6-11-5-12(8-14)9-15(18)7-11/h11-15,21H,1-10H2,(H,19,20).
What are the key properties of CID 122189271?
CID 122189271 has a molecular weight of 337.42 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122189271 is sourced from PubChem (CID 122189271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).