CID 59303751

C8H9NO — CID 59303751

IUPAC—
SMILES[CH]c1cccc(=O)n1CC
InChIInChI=1S/C8H9NO/c1-3-9-7(2)5-4-6-8(9)10/h2,4-6H,3H2,1H3
InChIKeyJVJFSUARJKQZPG-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.93
Rot. Bonds1

About CID 59303751

CID 59303751 (PubChem CID 59303751) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol.

Molecular Properties

Compound NameCID 59303751
PubChem CID59303751
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name—
SMILES[CH]c1cccc(=O)n1CC
InChIInChI=1S/C8H9NO/c1-3-9-7(2)5-4-6-8(9)10/h2,4-6H,3H2,1H3
InChIKeyJVJFSUARJKQZPG-UHFFFAOYSA-N
XLogP0.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59303751?
The IUPAC name of CID 59303751 (CID 59303751) is not available.
What is the SMILES notation for CID 59303751?
The canonical SMILES for CID 59303751 is [CH]c1cccc(=O)n1CC.
What is the InChIKey of CID 59303751?
The InChIKey is JVJFSUARJKQZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-9-7(2)5-4-6-8(9)10/h2,4-6H,3H2,1H3.
What are the key properties of CID 59303751?
CID 59303751 has a molecular weight of 135.17 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303751 is sourced from PubChem (CID 59303751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).