CID 101257627

C11H16NO2 — CID 101257627

IUPAC—
SMILESCOc1ccc(N([O])C(C)(C)C)cc1
InChIInChI=1S/C11H16NO2/c1-11(2,3)12(13)9-5-7-10(14-4)8-6-9/h5-8H,1-4H3
InChIKeyFEPPVXCPUOBDDD-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.65
Rot. Bonds2

About CID 101257627

CID 101257627 (PubChem CID 101257627) has the molecular formula C11H16NO2 and a molecular weight of 194.25 g/mol.

Molecular Properties

Compound NameCID 101257627
PubChem CID101257627
Molecular FormulaC11H16NO2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name—
SMILESCOc1ccc(N([O])C(C)(C)C)cc1
InChIInChI=1S/C11H16NO2/c1-11(2,3)12(13)9-5-7-10(14-4)8-6-9/h5-8H,1-4H3
InChIKeyFEPPVXCPUOBDDD-UHFFFAOYSA-N
XLogP2.65
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 101257627?
The IUPAC name of CID 101257627 (CID 101257627) is not available.
What is the SMILES notation for CID 101257627?
The canonical SMILES for CID 101257627 is COc1ccc(N([O])C(C)(C)C)cc1.
What is the InChIKey of CID 101257627?
The InChIKey is FEPPVXCPUOBDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2/c1-11(2,3)12(13)9-5-7-10(14-4)8-6-9/h5-8H,1-4H3.
What are the key properties of CID 101257627?
CID 101257627 has a molecular weight of 194.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101257627 is sourced from PubChem (CID 101257627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).