CID 57424296

C7H8N — CID 57424296

IUPAC—
SMILES[CH2]c1ccc(N)cc1
InChIInChI=1S/C7H8N/c1-6-2-4-7(8)5-3-6/h2-5H,1,8H2
InChIKeyFOKCQHMSVDTKGF-UHFFFAOYSA-N
MW106.15 g/mol
LogP1.45
Rot. Bonds

About CID 57424296

CID 57424296 (PubChem CID 57424296) has the molecular formula C7H8N and a molecular weight of 106.15 g/mol.

Molecular Properties

Compound NameCID 57424296
PubChem CID57424296
Molecular FormulaC7H8N
Molecular Weight106.15 g/mol
Exact Mass106.07
IUPAC Name—
SMILES[CH2]c1ccc(N)cc1
InChIInChI=1S/C7H8N/c1-6-2-4-7(8)5-3-6/h2-5H,1,8H2
InChIKeyFOKCQHMSVDTKGF-UHFFFAOYSA-N
XLogP1.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57424296?
The IUPAC name of CID 57424296 (CID 57424296) is not available.
What is the SMILES notation for CID 57424296?
The canonical SMILES for CID 57424296 is [CH2]c1ccc(N)cc1.
What is the InChIKey of CID 57424296?
The InChIKey is FOKCQHMSVDTKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N/c1-6-2-4-7(8)5-3-6/h2-5H,1,8H2.
What are the key properties of CID 57424296?
CID 57424296 has a molecular weight of 106.15 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57424296 is sourced from PubChem (CID 57424296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).