CID 135043369

C6H9N+ — CID 135043369

IUPAC—
SMILESCC1C=CC=C[NH+]1
InChIInChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h2-7H,1H3/q+1
InChIKeyPXFVFGGWYIZAEW-UHFFFAOYSA-N
MW95.14 g/mol
LogP-0.19
Rot. Bonds

About CID 135043369

CID 135043369 (PubChem CID 135043369) has the molecular formula C6H9N+ and a molecular weight of 95.14 g/mol.

Molecular Properties

Compound NameCID 135043369
PubChem CID135043369
Molecular FormulaC6H9N+
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name—
SMILESCC1C=CC=C[NH+]1
InChIInChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h2-7H,1H3/q+1
InChIKeyPXFVFGGWYIZAEW-UHFFFAOYSA-N
XLogP-0.19
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 135043369?
The IUPAC name of CID 135043369 (CID 135043369) is not available.
What is the SMILES notation for CID 135043369?
The canonical SMILES for CID 135043369 is CC1C=CC=C[NH+]1.
What is the InChIKey of CID 135043369?
The InChIKey is PXFVFGGWYIZAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h2-7H,1H3/q+1.
What are the key properties of CID 135043369?
CID 135043369 has a molecular weight of 95.14 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135043369 is sourced from PubChem (CID 135043369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).