CID 177158828

C10H9N2O — CID 177158828

IUPAC—
SMILES[CH2]c1ccc2c(=O)[nH]c(C)nc2c1
InChIInChI=1S/C10H9N2O/c1-6-3-4-8-9(5-6)11-7(2)12-10(8)13/h3-5H,1H2,2H3,(H,11,12,13)
InChIKeySWJQWSSIJHZBEH-UHFFFAOYSA-N
MW173.19 g/mol
LogP1.41
Rot. Bonds

About CID 177158828

CID 177158828 (PubChem CID 177158828) has the molecular formula C10H9N2O and a molecular weight of 173.19 g/mol.

Molecular Properties

Compound NameCID 177158828
PubChem CID177158828
Molecular FormulaC10H9N2O
Molecular Weight173.19 g/mol
Exact Mass173.07
IUPAC Name—
SMILES[CH2]c1ccc2c(=O)[nH]c(C)nc2c1
InChIInChI=1S/C10H9N2O/c1-6-3-4-8-9(5-6)11-7(2)12-10(8)13/h3-5H,1H2,2H3,(H,11,12,13)
InChIKeySWJQWSSIJHZBEH-UHFFFAOYSA-N
XLogP1.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 177158828?
The IUPAC name of CID 177158828 (CID 177158828) is not available.
What is the SMILES notation for CID 177158828?
The canonical SMILES for CID 177158828 is [CH2]c1ccc2c(=O)[nH]c(C)nc2c1.
What is the InChIKey of CID 177158828?
The InChIKey is SWJQWSSIJHZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O/c1-6-3-4-8-9(5-6)11-7(2)12-10(8)13/h3-5H,1H2,2H3,(H,11,12,13).
What are the key properties of CID 177158828?
CID 177158828 has a molecular weight of 173.19 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177158828 is sourced from PubChem (CID 177158828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).