CID 11154897

C15H25N3O3+ — CID 11154897

IUPAC—
SMILESC[n+]1ccn(CC(=O)OC2CC(C)(C)N([O])C(C)(C)C2)c1
InChIInChI=1S/C15H25N3O3/c1-14(2)8-12(9-15(3,4)18(14)20)21-13(19)10-17-7-6-16(5)11-17/h6-7,11-12H,8-10H2,1-5H3/q+1
InChIKeyLHRXBLXFIWHQOE-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.22
Rot. Bonds3

About CID 11154897

CID 11154897 (PubChem CID 11154897) has the molecular formula C15H25N3O3+ and a molecular weight of 295.38 g/mol.

Molecular Properties

Compound NameCID 11154897
PubChem CID11154897
Molecular FormulaC15H25N3O3+
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name—
SMILESC[n+]1ccn(CC(=O)OC2CC(C)(C)N([O])C(C)(C)C2)c1
InChIInChI=1S/C15H25N3O3/c1-14(2)8-12(9-15(3,4)18(14)20)21-13(19)10-17-7-6-16(5)11-17/h6-7,11-12H,8-10H2,1-5H3/q+1
InChIKeyLHRXBLXFIWHQOE-UHFFFAOYSA-N
XLogP1.22
TPSA58.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11154897?
The IUPAC name of CID 11154897 (CID 11154897) is not available.
What is the SMILES notation for CID 11154897?
The canonical SMILES for CID 11154897 is C[n+]1ccn(CC(=O)OC2CC(C)(C)N([O])C(C)(C)C2)c1.
What is the InChIKey of CID 11154897?
The InChIKey is LHRXBLXFIWHQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-14(2)8-12(9-15(3,4)18(14)20)21-13(19)10-17-7-6-16(5)11-17/h6-7,11-12H,8-10H2,1-5H3/q+1.
What are the key properties of CID 11154897?
CID 11154897 has a molecular weight of 295.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11154897 is sourced from PubChem (CID 11154897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).