CID 162410404

C5H7N+ — CID 162410404

IUPAC—
SMILES[CH]1C=CC=[NH+]C1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h1-4H,5H2/p+1
InChIKeyKJSPWGIAKVRIDT-UHFFFAOYSA-O
MW81.12 g/mol
LogP-1.09
Rot. Bonds

About CID 162410404

CID 162410404 (PubChem CID 162410404) has the molecular formula C5H7N+ and a molecular weight of 81.12 g/mol.

Molecular Properties

Compound NameCID 162410404
PubChem CID162410404
Molecular FormulaC5H7N+
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name—
SMILES[CH]1C=CC=[NH+]C1
InChIInChI=1S/C5H6N/c1-2-4-6-5-3-1/h1-4H,5H2/p+1
InChIKeyKJSPWGIAKVRIDT-UHFFFAOYSA-O
XLogP-1.09
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 162410404?
The IUPAC name of CID 162410404 (CID 162410404) is not available.
What is the SMILES notation for CID 162410404?
The canonical SMILES for CID 162410404 is [CH]1C=CC=[NH+]C1.
What is the InChIKey of CID 162410404?
The InChIKey is KJSPWGIAKVRIDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6N/c1-2-4-6-5-3-1/h1-4H,5H2/p+1.
What are the key properties of CID 162410404?
CID 162410404 has a molecular weight of 81.12 g/mol, XLogP of -1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162410404 is sourced from PubChem (CID 162410404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).