CID 56964004

C14H12NO — CID 56964004

IUPAC—
SMILESO=C1CC([C]2[CH][CH][CH][CH]2)Nc2ccccc21
InChIInChI=1S/C14H12NO/c16-14-9-13(10-5-1-2-6-10)15-12-8-4-3-7-11(12)14/h1-8,13,15H,9H2
InChIKeyMAMFDJIPCOAPAR-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.46
Rot. Bonds1

About CID 56964004

CID 56964004 (PubChem CID 56964004) has the molecular formula C14H12NO and a molecular weight of 210.26 g/mol.

Molecular Properties

Compound NameCID 56964004
PubChem CID56964004
Molecular FormulaC14H12NO
Molecular Weight210.26 g/mol
Exact Mass210.09
IUPAC Name—
SMILESO=C1CC([C]2[CH][CH][CH][CH]2)Nc2ccccc21
InChIInChI=1S/C14H12NO/c16-14-9-13(10-5-1-2-6-10)15-12-8-4-3-7-11(12)14/h1-8,13,15H,9H2
InChIKeyMAMFDJIPCOAPAR-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 56964004?
The IUPAC name of CID 56964004 (CID 56964004) is not available.
What is the SMILES notation for CID 56964004?
The canonical SMILES for CID 56964004 is O=C1CC([C]2[CH][CH][CH][CH]2)Nc2ccccc21.
What is the InChIKey of CID 56964004?
The InChIKey is MAMFDJIPCOAPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12NO/c16-14-9-13(10-5-1-2-6-10)15-12-8-4-3-7-11(12)14/h1-8,13,15H,9H2.
What are the key properties of CID 56964004?
CID 56964004 has a molecular weight of 210.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 56964004 is sourced from PubChem (CID 56964004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).