CID 134853384

C16H20NO — CID 134853384

IUPAC—
SMILESc1ccc([N]OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C16H20NO/c1-2-4-15(5-3-1)17-18-16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2
InChIKeySALKREDITCYYPW-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.82
Rot. Bonds3

About CID 134853384

CID 134853384 (PubChem CID 134853384) has the molecular formula C16H20NO and a molecular weight of 242.34 g/mol.

Molecular Properties

Compound NameCID 134853384
PubChem CID134853384
Molecular FormulaC16H20NO
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name—
SMILESc1ccc([N]OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C16H20NO/c1-2-4-15(5-3-1)17-18-16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2
InChIKeySALKREDITCYYPW-UHFFFAOYSA-N
XLogP3.82
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134853384?
The IUPAC name of CID 134853384 (CID 134853384) is not available.
What is the SMILES notation for CID 134853384?
The canonical SMILES for CID 134853384 is c1ccc([N]OC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of CID 134853384?
The InChIKey is SALKREDITCYYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO/c1-2-4-15(5-3-1)17-18-16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2.
What are the key properties of CID 134853384?
CID 134853384 has a molecular weight of 242.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134853384 is sourced from PubChem (CID 134853384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).