CID 59303826

C8H10N2O — CID 59303826

IUPAC—
SMILES[CH]c1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C8H10N2O/c1-6(2)10-8(11)5-4-7(3)9-10/h3-6H,1-2H3
InChIKeyYOVLZVVXTMKKPE-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.88
Rot. Bonds1

About CID 59303826

CID 59303826 (PubChem CID 59303826) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol.

Molecular Properties

Compound NameCID 59303826
PubChem CID59303826
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name—
SMILES[CH]c1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C8H10N2O/c1-6(2)10-8(11)5-4-7(3)9-10/h3-6H,1-2H3
InChIKeyYOVLZVVXTMKKPE-UHFFFAOYSA-N
XLogP0.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59303826?
The IUPAC name of CID 59303826 (CID 59303826) is not available.
What is the SMILES notation for CID 59303826?
The canonical SMILES for CID 59303826 is [CH]c1ccc(=O)n(C(C)C)n1.
What is the InChIKey of CID 59303826?
The InChIKey is YOVLZVVXTMKKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6(2)10-8(11)5-4-7(3)9-10/h3-6H,1-2H3.
What are the key properties of CID 59303826?
CID 59303826 has a molecular weight of 150.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303826 is sourced from PubChem (CID 59303826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).