CID 59233639

C7H7NO — CID 59233639

IUPAC—
SMILES[CH]n1c(C)cccc1=O
InChIInChI=1S/C7H7NO/c1-6-4-3-5-7(9)8(6)2/h2-5H,1H3
InChIKeyUNAKGVIBEFDIFJ-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.67
Rot. Bonds

About CID 59233639

CID 59233639 (PubChem CID 59233639) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol.

Molecular Properties

Compound NameCID 59233639
PubChem CID59233639
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name—
SMILES[CH]n1c(C)cccc1=O
InChIInChI=1S/C7H7NO/c1-6-4-3-5-7(9)8(6)2/h2-5H,1H3
InChIKeyUNAKGVIBEFDIFJ-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59233639?
The IUPAC name of CID 59233639 (CID 59233639) is not available.
What is the SMILES notation for CID 59233639?
The canonical SMILES for CID 59233639 is [CH]n1c(C)cccc1=O.
What is the InChIKey of CID 59233639?
The InChIKey is UNAKGVIBEFDIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-4-3-5-7(9)8(6)2/h2-5H,1H3.
What are the key properties of CID 59233639?
CID 59233639 has a molecular weight of 121.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59233639 is sourced from PubChem (CID 59233639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).