CID 164673418

C9H13N+ — CID 164673418

IUPAC—
SMILESC[N+](C)=CC1=CC=C[CH]C1
InChIInChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-6,8H,7H2,1-2H3/q+1
InChIKeySQMXVHNAISUVJK-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.42
Rot. Bonds1

About CID 164673418

CID 164673418 (PubChem CID 164673418) has the molecular formula C9H13N+ and a molecular weight of 135.21 g/mol.

Molecular Properties

Compound NameCID 164673418
PubChem CID164673418
Molecular FormulaC9H13N+
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name—
SMILESC[N+](C)=CC1=CC=C[CH]C1
InChIInChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-6,8H,7H2,1-2H3/q+1
InChIKeySQMXVHNAISUVJK-UHFFFAOYSA-N
XLogP1.42
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164673418?
The IUPAC name of CID 164673418 (CID 164673418) is not available.
What is the SMILES notation for CID 164673418?
The canonical SMILES for CID 164673418 is C[N+](C)=CC1=CC=C[CH]C1.
What is the InChIKey of CID 164673418?
The InChIKey is SQMXVHNAISUVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-6,8H,7H2,1-2H3/q+1.
What are the key properties of CID 164673418?
CID 164673418 has a molecular weight of 135.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164673418 is sourced from PubChem (CID 164673418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).