CID 100998322

C14H14NO — CID 100998322

IUPAC—
SMILESCC(c1ccccc1)N([O])c1ccccc1
InChIInChI=1S/C14H14NO/c1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyUXWWRPKTHOUPGK-UHFFFAOYSA-N
MW212.27 g/mol
LogP3.60
Rot. Bonds3

About CID 100998322

CID 100998322 (PubChem CID 100998322) has the molecular formula C14H14NO and a molecular weight of 212.27 g/mol.

Molecular Properties

Compound NameCID 100998322
PubChem CID100998322
Molecular FormulaC14H14NO
Molecular Weight212.27 g/mol
Exact Mass212.11
IUPAC Name—
SMILESCC(c1ccccc1)N([O])c1ccccc1
InChIInChI=1S/C14H14NO/c1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyUXWWRPKTHOUPGK-UHFFFAOYSA-N
XLogP3.60
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 53.60
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 100998322?
The IUPAC name of CID 100998322 (CID 100998322) is not available.
What is the SMILES notation for CID 100998322?
The canonical SMILES for CID 100998322 is CC(c1ccccc1)N([O])c1ccccc1.
What is the InChIKey of CID 100998322?
The InChIKey is UXWWRPKTHOUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO/c1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of CID 100998322?
CID 100998322 has a molecular weight of 212.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100998322 is sourced from PubChem (CID 100998322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).