CID 53475265

C14H11N2 — CID 53475265

IUPAC—
SMILESC(#C[C]1[CH][CH][CH][CH]1)/C=N/Nc1ccccc1
InChIInChI=1S/C14H11N2/c1-2-10-14(11-3-1)16-15-12-6-9-13-7-4-5-8-13/h1-5,7-8,10-12,16H/b15-12+
InChIKeyRPOCGSREPPPYJD-NTCAYCPXSA-N
MW207.26 g/mol
LogP2.49
Rot. Bonds2

About CID 53475265

CID 53475265 (PubChem CID 53475265) has the molecular formula C14H11N2 and a molecular weight of 207.26 g/mol.

Molecular Properties

Compound NameCID 53475265
PubChem CID53475265
Molecular FormulaC14H11N2
Molecular Weight207.26 g/mol
Exact Mass207.09
IUPAC Name—
SMILESC(#C[C]1[CH][CH][CH][CH]1)/C=N/Nc1ccccc1
InChIInChI=1S/C14H11N2/c1-2-10-14(11-3-1)16-15-12-6-9-13-7-4-5-8-13/h1-5,7-8,10-12,16H/b15-12+
InChIKeyRPOCGSREPPPYJD-NTCAYCPXSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 53475265?
The IUPAC name of CID 53475265 (CID 53475265) is not available.
What is the SMILES notation for CID 53475265?
The canonical SMILES for CID 53475265 is C(#C[C]1[CH][CH][CH][CH]1)/C=N/Nc1ccccc1.
What is the InChIKey of CID 53475265?
The InChIKey is RPOCGSREPPPYJD-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H11N2/c1-2-10-14(11-3-1)16-15-12-6-9-13-7-4-5-8-13/h1-5,7-8,10-12,16H/b15-12+.
What are the key properties of CID 53475265?
CID 53475265 has a molecular weight of 207.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53475265 is sourced from PubChem (CID 53475265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).