CID 101083637

C13H18NO2 — CID 101083637

IUPAC—
SMILESCC1(C)CCC(C)(c2ccc(O)cc2)N1[O]
InChIInChI=1S/C13H18NO2/c1-12(2)8-9-13(3,14(12)16)10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeyQTOFVVFDAFHHBJ-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.83
Rot. Bonds1

About CID 101083637

CID 101083637 (PubChem CID 101083637) has the molecular formula C13H18NO2 and a molecular weight of 220.29 g/mol.

Molecular Properties

Compound NameCID 101083637
PubChem CID101083637
Molecular FormulaC13H18NO2
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name—
SMILESCC1(C)CCC(C)(c2ccc(O)cc2)N1[O]
InChIInChI=1S/C13H18NO2/c1-12(2)8-9-13(3,14(12)16)10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeyQTOFVVFDAFHHBJ-UHFFFAOYSA-N
XLogP2.83
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 101083637?
The IUPAC name of CID 101083637 (CID 101083637) is not available.
What is the SMILES notation for CID 101083637?
The canonical SMILES for CID 101083637 is CC1(C)CCC(C)(c2ccc(O)cc2)N1[O].
What is the InChIKey of CID 101083637?
The InChIKey is QTOFVVFDAFHHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO2/c1-12(2)8-9-13(3,14(12)16)10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3.
What are the key properties of CID 101083637?
CID 101083637 has a molecular weight of 220.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101083637 is sourced from PubChem (CID 101083637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).