CID 123848774

C16H18BrNO — CID 123848774

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(Br)cc1C21C=N1
InChIInChI=1S/C16H18BrNO/c1-19-13-4-6-15(7-5-13)9-11-2-3-12(17)8-14(11)16(15)10-18-16/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeyTUESXHKEOIDREK-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.86
Rot. Bonds1

About CID 123848774

CID 123848774 (PubChem CID 123848774) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol.

Molecular Properties

Compound NameCID 123848774
PubChem CID123848774
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(Br)cc1C21C=N1
InChIInChI=1S/C16H18BrNO/c1-19-13-4-6-15(7-5-13)9-11-2-3-12(17)8-14(11)16(15)10-18-16/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeyTUESXHKEOIDREK-UHFFFAOYSA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(6-bromo-1-ethenyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-yl)-2-methylpropane-2-sulfinamide
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CID 161256949
(7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide
CID 163427406
CID 58196979
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CID 123955907
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Frequently Asked Questions

What is the IUPAC name of CID 123848774?
The IUPAC name of CID 123848774 (CID 123848774) is not available.
What is the SMILES notation for CID 123848774?
The canonical SMILES for CID 123848774 is COC1CCC2(CC1)Cc1ccc(Br)cc1C21C=N1.
What is the InChIKey of CID 123848774?
The InChIKey is TUESXHKEOIDREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-19-13-4-6-15(7-5-13)9-11-2-3-12(17)8-14(11)16(15)10-18-16/h2-3,8,10,13H,4-7,9H2,1H3.
What are the key properties of CID 123848774?
CID 123848774 has a molecular weight of 320.23 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123848774 is sourced from PubChem (CID 123848774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).