CID 162410797

C13H18NO2 — CID 162410797

IUPAC—
SMILESCC1(C)CCC(C(O)c2ccccc2)N1[O]
InChIInChI=1S/C13H18NO2/c1-13(2)9-8-11(14(13)16)12(15)10-6-4-3-5-7-10/h3-7,11-12,15H,8-9H2,1-2H3
InChIKeyBANYJXJEFJQGNF-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.31
Rot. Bonds2

About CID 162410797

CID 162410797 (PubChem CID 162410797) has the molecular formula C13H18NO2 and a molecular weight of 220.29 g/mol.

Molecular Properties

Compound NameCID 162410797
PubChem CID162410797
Molecular FormulaC13H18NO2
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name—
SMILESCC1(C)CCC(C(O)c2ccccc2)N1[O]
InChIInChI=1S/C13H18NO2/c1-13(2)9-8-11(14(13)16)12(15)10-6-4-3-5-7-10/h3-7,11-12,15H,8-9H2,1-2H3
InChIKeyBANYJXJEFJQGNF-UHFFFAOYSA-N
XLogP2.31
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 162410797?
The IUPAC name of CID 162410797 (CID 162410797) is not available.
What is the SMILES notation for CID 162410797?
The canonical SMILES for CID 162410797 is CC1(C)CCC(C(O)c2ccccc2)N1[O].
What is the InChIKey of CID 162410797?
The InChIKey is BANYJXJEFJQGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO2/c1-13(2)9-8-11(14(13)16)12(15)10-6-4-3-5-7-10/h3-7,11-12,15H,8-9H2,1-2H3.
What are the key properties of CID 162410797?
CID 162410797 has a molecular weight of 220.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162410797 is sourced from PubChem (CID 162410797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).