CID 59303706

C8H7NO2 — CID 59303706

IUPAC—
SMILES[CH]C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C8H7NO2/c1-6(10)7-3-4-9(2)8(11)5-7/h1,3-5H,2H3
InChIKeyFRONHPDKPIHJOP-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.28
Rot. Bonds1

About CID 59303706

CID 59303706 (PubChem CID 59303706) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol.

Molecular Properties

Compound NameCID 59303706
PubChem CID59303706
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name—
SMILES[CH]C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C8H7NO2/c1-6(10)7-3-4-9(2)8(11)5-7/h1,3-5H,2H3
InChIKeyFRONHPDKPIHJOP-UHFFFAOYSA-N
XLogP0.28
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59303706?
The IUPAC name of CID 59303706 (CID 59303706) is not available.
What is the SMILES notation for CID 59303706?
The canonical SMILES for CID 59303706 is [CH]C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of CID 59303706?
The InChIKey is FRONHPDKPIHJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-6(10)7-3-4-9(2)8(11)5-7/h1,3-5H,2H3.
What are the key properties of CID 59303706?
CID 59303706 has a molecular weight of 149.15 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303706 is sourced from PubChem (CID 59303706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).