CID 153486649

C7H6N2O — CID 153486649

IUPAC—
SMILES[N]c1cccc(C(N)=O)c1
InChIInChI=1S/C7H6N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKeyIQWCDHMJCGYJPM-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.49
Rot. Bonds1

About CID 153486649

CID 153486649 (PubChem CID 153486649) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol.

Molecular Properties

Compound NameCID 153486649
PubChem CID153486649
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name—
SMILES[N]c1cccc(C(N)=O)c1
InChIInChI=1S/C7H6N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKeyIQWCDHMJCGYJPM-UHFFFAOYSA-N
XLogP0.49
TPSA65.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 153486649?
The IUPAC name of CID 153486649 (CID 153486649) is not available.
What is the SMILES notation for CID 153486649?
The canonical SMILES for CID 153486649 is [N]c1cccc(C(N)=O)c1.
What is the InChIKey of CID 153486649?
The InChIKey is IQWCDHMJCGYJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10).
What are the key properties of CID 153486649?
CID 153486649 has a molecular weight of 134.14 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153486649 is sourced from PubChem (CID 153486649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).