CID 134967225

C6H8NO — CID 134967225

IUPAC—
SMILESOCC1C=CC=C[N]1
InChIInChI=1S/C6H8NO/c8-5-6-3-1-2-4-7-6/h1-4,6,8H,5H2
InChIKeyIUWSSKMDCXXZQW-UHFFFAOYSA-N
MW110.14 g/mol
LogP0.04
Rot. Bonds1

About CID 134967225

CID 134967225 (PubChem CID 134967225) has the molecular formula C6H8NO and a molecular weight of 110.14 g/mol.

Molecular Properties

Compound NameCID 134967225
PubChem CID134967225
Molecular FormulaC6H8NO
Molecular Weight110.14 g/mol
Exact Mass110.06
IUPAC Name—
SMILESOCC1C=CC=C[N]1
InChIInChI=1S/C6H8NO/c8-5-6-3-1-2-4-7-6/h1-4,6,8H,5H2
InChIKeyIUWSSKMDCXXZQW-UHFFFAOYSA-N
XLogP0.04
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 134967225?
The IUPAC name of CID 134967225 (CID 134967225) is not available.
What is the SMILES notation for CID 134967225?
The canonical SMILES for CID 134967225 is OCC1C=CC=C[N]1.
What is the InChIKey of CID 134967225?
The InChIKey is IUWSSKMDCXXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO/c8-5-6-3-1-2-4-7-6/h1-4,6,8H,5H2.
What are the key properties of CID 134967225?
CID 134967225 has a molecular weight of 110.14 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134967225 is sourced from PubChem (CID 134967225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).