CID 102446999

C16H16NO — CID 102446999

IUPAC—
SMILES[CH2]c1ccc(CCc2ccc(CN=O)cc2)cc1
InChIInChI=1S/C16H16NO/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-17-18/h2-5,8-11H,1,6-7,12H2
InChIKeyZQLHWPYRAPQZDS-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.92
Rot. Bonds5

About CID 102446999

CID 102446999 (PubChem CID 102446999) has the molecular formula C16H16NO and a molecular weight of 238.31 g/mol.

Molecular Properties

Compound NameCID 102446999
PubChem CID102446999
Molecular FormulaC16H16NO
Molecular Weight238.31 g/mol
Exact Mass238.12
IUPAC Name—
SMILES[CH2]c1ccc(CCc2ccc(CN=O)cc2)cc1
InChIInChI=1S/C16H16NO/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-17-18/h2-5,8-11H,1,6-7,12H2
InChIKeyZQLHWPYRAPQZDS-UHFFFAOYSA-N
XLogP3.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 102446999?
The IUPAC name of CID 102446999 (CID 102446999) is not available.
What is the SMILES notation for CID 102446999?
The canonical SMILES for CID 102446999 is [CH2]c1ccc(CCc2ccc(CN=O)cc2)cc1.
What is the InChIKey of CID 102446999?
The InChIKey is ZQLHWPYRAPQZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NO/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-17-18/h2-5,8-11H,1,6-7,12H2.
What are the key properties of CID 102446999?
CID 102446999 has a molecular weight of 238.31 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102446999 is sourced from PubChem (CID 102446999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).