CID 138966133

C6H8NO — CID 138966133

IUPAC—
SMILESOC[C@@H]1C=CC=C[N]1
InChIInChI=1S/C6H8NO/c8-5-6-3-1-2-4-7-6/h1-4,6,8H,5H2/t6-/m0/s1
InChIKeyIUWSSKMDCXXZQW-LURJTMIESA-N
MW110.14 g/mol
LogP0.04
Rot. Bonds1

About CID 138966133

CID 138966133 (PubChem CID 138966133) has the molecular formula C6H8NO and a molecular weight of 110.14 g/mol.

Molecular Properties

Compound NameCID 138966133
PubChem CID138966133
Molecular FormulaC6H8NO
Molecular Weight110.14 g/mol
Exact Mass110.06
IUPAC Name—
SMILESOC[C@@H]1C=CC=C[N]1
InChIInChI=1S/C6H8NO/c8-5-6-3-1-2-4-7-6/h1-4,6,8H,5H2/t6-/m0/s1
InChIKeyIUWSSKMDCXXZQW-LURJTMIESA-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 138966133?
The IUPAC name of CID 138966133 (CID 138966133) is not available.
What is the SMILES notation for CID 138966133?
The canonical SMILES for CID 138966133 is OC[C@@H]1C=CC=C[N]1.
What is the InChIKey of CID 138966133?
The InChIKey is IUWSSKMDCXXZQW-LURJTMIESA-N. The full InChI is InChI=1S/C6H8NO/c8-5-6-3-1-2-4-7-6/h1-4,6,8H,5H2/t6-/m0/s1.
What are the key properties of CID 138966133?
CID 138966133 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 138966133 is sourced from PubChem (CID 138966133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).