CID 178186121

C13H10NO — CID 178186121

IUPAC—
SMILESOc1cccc2c1=C1NC=CC=C1[CH]C=2
InChIInChI=1S/C13H10NO/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8,14-15H
InChIKeyUCBIJEFPFKTJDF-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.54
Rot. Bonds

About CID 178186121

CID 178186121 (PubChem CID 178186121) has the molecular formula C13H10NO and a molecular weight of 196.23 g/mol.

Molecular Properties

Compound NameCID 178186121
PubChem CID178186121
Molecular FormulaC13H10NO
Molecular Weight196.23 g/mol
Exact Mass196.08
IUPAC Name—
SMILESOc1cccc2c1=C1NC=CC=C1[CH]C=2
InChIInChI=1S/C13H10NO/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8,14-15H
InChIKeyUCBIJEFPFKTJDF-UHFFFAOYSA-N
XLogP0.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 178186121?
The IUPAC name of CID 178186121 (CID 178186121) is not available.
What is the SMILES notation for CID 178186121?
The canonical SMILES for CID 178186121 is Oc1cccc2c1=C1NC=CC=C1[CH]C=2.
What is the InChIKey of CID 178186121?
The InChIKey is UCBIJEFPFKTJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10NO/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8,14-15H.
What are the key properties of CID 178186121?
CID 178186121 has a molecular weight of 196.23 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178186121 is sourced from PubChem (CID 178186121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).