CID 101355702

C22H25NO2+ — CID 101355702

IUPAC—
SMILESCCCCCCCNOC(=[O+])c1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H25NO2/c1-2-3-4-5-10-15-23-25-22(24)21-19-13-8-6-11-17(19)16-18-12-7-9-14-20(18)21/h6-9,11-14,16,23H,2-5,10,15H2,1H3/q+1
InChIKeyMICXLPSVYPRUHL-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.62
Rot. Bonds8

About CID 101355702

CID 101355702 (PubChem CID 101355702) has the molecular formula C22H25NO2+ and a molecular weight of 335.45 g/mol.

Molecular Properties

Compound NameCID 101355702
PubChem CID101355702
Molecular FormulaC22H25NO2+
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name—
SMILESCCCCCCCNOC(=[O+])c1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H25NO2/c1-2-3-4-5-10-15-23-25-22(24)21-19-13-8-6-11-17(19)16-18-12-7-9-14-20(18)21/h6-9,11-14,16,23H,2-5,10,15H2,1H3/q+1
InChIKeyMICXLPSVYPRUHL-UHFFFAOYSA-N
XLogP5.62
TPSA41.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 102424010
CID 102424010
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anthracene-9-carboxylic acid;dibromo(butyl)silane
CID 173129114
anthracene;hexan-1-ol
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methyl 2-decoxynaphthalene-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of CID 101355702?
The IUPAC name of CID 101355702 (CID 101355702) is not available.
What is the SMILES notation for CID 101355702?
The canonical SMILES for CID 101355702 is CCCCCCCNOC(=[O+])c1c2ccccc2cc2ccccc12.
What is the InChIKey of CID 101355702?
The InChIKey is MICXLPSVYPRUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-2-3-4-5-10-15-23-25-22(24)21-19-13-8-6-11-17(19)16-18-12-7-9-14-20(18)21/h6-9,11-14,16,23H,2-5,10,15H2,1H3/q+1.
What are the key properties of CID 101355702?
CID 101355702 has a molecular weight of 335.45 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101355702 is sourced from PubChem (CID 101355702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).