CID 10894260

C15H18NO2 — CID 10894260

IUPAC—
SMILESCC(=O)[CH][CH][CH]C(C)N(C=O)Cc1ccccc1
InChIInChI=1S/C15H18NO2/c1-13(7-6-8-14(2)18)16(12-17)11-15-9-4-3-5-10-15/h3-10,12-13H,11H2,1-2H3
InChIKeyBLMRPYXEJSLHRD-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.24
Rot. Bonds8

About CID 10894260

CID 10894260 (PubChem CID 10894260) has the molecular formula C15H18NO2 and a molecular weight of 244.31 g/mol.

Molecular Properties

Compound NameCID 10894260
PubChem CID10894260
Molecular FormulaC15H18NO2
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name—
SMILESCC(=O)[CH][CH][CH]C(C)N(C=O)Cc1ccccc1
InChIInChI=1S/C15H18NO2/c1-13(7-6-8-14(2)18)16(12-17)11-15-9-4-3-5-10-15/h3-10,12-13H,11H2,1-2H3
InChIKeyBLMRPYXEJSLHRD-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 10894260?
The IUPAC name of CID 10894260 (CID 10894260) is not available.
What is the SMILES notation for CID 10894260?
The canonical SMILES for CID 10894260 is CC(=O)[CH][CH][CH]C(C)N(C=O)Cc1ccccc1.
What is the InChIKey of CID 10894260?
The InChIKey is BLMRPYXEJSLHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO2/c1-13(7-6-8-14(2)18)16(12-17)11-15-9-4-3-5-10-15/h3-10,12-13H,11H2,1-2H3.
What are the key properties of CID 10894260?
CID 10894260 has a molecular weight of 244.31 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10894260 is sourced from PubChem (CID 10894260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).