CID 58245625

C7H7NO — CID 58245625

IUPAC—
SMILES[CH]c1cccc(=O)n1C
InChIInChI=1S/C7H7NO/c1-6-4-3-5-7(9)8(6)2/h1,3-5H,2H3
InChIKeyJMOOFYBADNXXJX-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.44
Rot. Bonds

About CID 58245625

CID 58245625 (PubChem CID 58245625) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol.

Molecular Properties

Compound NameCID 58245625
PubChem CID58245625
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name—
SMILES[CH]c1cccc(=O)n1C
InChIInChI=1S/C7H7NO/c1-6-4-3-5-7(9)8(6)2/h1,3-5H,2H3
InChIKeyJMOOFYBADNXXJX-UHFFFAOYSA-N
XLogP0.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58245625?
The IUPAC name of CID 58245625 (CID 58245625) is not available.
What is the SMILES notation for CID 58245625?
The canonical SMILES for CID 58245625 is [CH]c1cccc(=O)n1C.
What is the InChIKey of CID 58245625?
The InChIKey is JMOOFYBADNXXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-4-3-5-7(9)8(6)2/h1,3-5H,2H3.
What are the key properties of CID 58245625?
CID 58245625 has a molecular weight of 121.14 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58245625 is sourced from PubChem (CID 58245625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).