CID 102357145

C7H7N2 — CID 102357145

IUPAC—
SMILESCN=C1C=CC(=[N])C=C1
InChIInChI=1S/C7H7N2/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyGXWIHWUEAXGJMD-UHFFFAOYSA-N
MW119.15 g/mol
LogP0.42
Rot. Bonds

About CID 102357145

CID 102357145 (PubChem CID 102357145) has the molecular formula C7H7N2 and a molecular weight of 119.15 g/mol.

Molecular Properties

Compound NameCID 102357145
PubChem CID102357145
Molecular FormulaC7H7N2
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Name—
SMILESCN=C1C=CC(=[N])C=C1
InChIInChI=1S/C7H7N2/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyGXWIHWUEAXGJMD-UHFFFAOYSA-N
XLogP0.42
TPSA34.66 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102357145?
The IUPAC name of CID 102357145 (CID 102357145) is not available.
What is the SMILES notation for CID 102357145?
The canonical SMILES for CID 102357145 is CN=C1C=CC(=[N])C=C1.
What is the InChIKey of CID 102357145?
The InChIKey is GXWIHWUEAXGJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3.
What are the key properties of CID 102357145?
CID 102357145 has a molecular weight of 119.15 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102357145 is sourced from PubChem (CID 102357145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).