CID 134967224

C6H9NO+ — CID 134967224

IUPAC—
SMILESOCC1C=CC=C[NH+]1
InChIInChI=1S/C6H9NO/c8-5-6-3-1-2-4-7-6/h1-4,6-8H,5H2/q+1
InChIKeyNLZMSGGMXPKQQM-UHFFFAOYSA-N
MW111.14 g/mol
LogP-1.22
Rot. Bonds1

About CID 134967224

CID 134967224 (PubChem CID 134967224) has the molecular formula C6H9NO+ and a molecular weight of 111.14 g/mol.

Molecular Properties

Compound NameCID 134967224
PubChem CID134967224
Molecular FormulaC6H9NO+
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name—
SMILESOCC1C=CC=C[NH+]1
InChIInChI=1S/C6H9NO/c8-5-6-3-1-2-4-7-6/h1-4,6-8H,5H2/q+1
InChIKeyNLZMSGGMXPKQQM-UHFFFAOYSA-N
XLogP-1.22
TPSA35.83 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134967224?
The IUPAC name of CID 134967224 (CID 134967224) is not available.
What is the SMILES notation for CID 134967224?
The canonical SMILES for CID 134967224 is OCC1C=CC=C[NH+]1.
What is the InChIKey of CID 134967224?
The InChIKey is NLZMSGGMXPKQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-5-6-3-1-2-4-7-6/h1-4,6-8H,5H2/q+1.
What are the key properties of CID 134967224?
CID 134967224 has a molecular weight of 111.14 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134967224 is sourced from PubChem (CID 134967224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).