CID 134953694

C6H8NO — CID 134953694

IUPAC—
SMILESOC[C]1C=CC=CN1
InChIInChI=1S/C6H8NO/c8-5-6-3-1-2-4-7-6/h1-4,7-8H,5H2
InChIKeyBKCCVHOXMUBZCI-UHFFFAOYSA-N
MW110.14 g/mol
LogP0.18
Rot. Bonds1

About CID 134953694

CID 134953694 (PubChem CID 134953694) has the molecular formula C6H8NO and a molecular weight of 110.14 g/mol.

Molecular Properties

Compound NameCID 134953694
PubChem CID134953694
Molecular FormulaC6H8NO
Molecular Weight110.14 g/mol
Exact Mass110.06
IUPAC Name—
SMILESOC[C]1C=CC=CN1
InChIInChI=1S/C6H8NO/c8-5-6-3-1-2-4-7-6/h1-4,7-8H,5H2
InChIKeyBKCCVHOXMUBZCI-UHFFFAOYSA-N
XLogP0.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134953694?
The IUPAC name of CID 134953694 (CID 134953694) is not available.
What is the SMILES notation for CID 134953694?
The canonical SMILES for CID 134953694 is OC[C]1C=CC=CN1.
What is the InChIKey of CID 134953694?
The InChIKey is BKCCVHOXMUBZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO/c8-5-6-3-1-2-4-7-6/h1-4,7-8H,5H2.
What are the key properties of CID 134953694?
CID 134953694 has a molecular weight of 110.14 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134953694 is sourced from PubChem (CID 134953694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).