CID 11377055

C22H28BiCl2N2O — CID 11377055

IUPAC—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccccc2)cc1
InChIInChI=1S/C9H16N2.C7H7O.C6H5.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-8-7-5-3-2-4-6-7;1-2-4-6-5-3-1;;;/h1-8H2;3-6H,1H3;1-5H;;2*1H/q;;;+2;;/p-2
InChIKeyYGXSTAUNMLMRDQ-UHFFFAOYSA-L
MW616.37 g/mol
LogP4.39
Rot. Bonds3

About CID 11377055

CID 11377055 (PubChem CID 11377055) has the molecular formula C22H28BiCl2N2O and a molecular weight of 616.37 g/mol.

Molecular Properties

Compound NameCID 11377055
PubChem CID11377055
Molecular FormulaC22H28BiCl2N2O
Molecular Weight616.37 g/mol
Exact Mass615.14
IUPAC Name—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccccc2)cc1
InChIInChI=1S/C9H16N2.C7H7O.C6H5.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-8-7-5-3-2-4-6-7;1-2-4-6-5-3-1;;;/h1-8H2;3-6H,1H3;1-5H;;2*1H/q;;;+2;;/p-2
InChIKeyYGXSTAUNMLMRDQ-UHFFFAOYSA-L
XLogP4.39
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 11377055?
The IUPAC name of CID 11377055 (CID 11377055) is not available.
What is the SMILES notation for CID 11377055?
The canonical SMILES for CID 11377055 is C1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccccc2)cc1.
What is the InChIKey of CID 11377055?
The InChIKey is YGXSTAUNMLMRDQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H16N2.C7H7O.C6H5.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-8-7-5-3-2-4-6-7;1-2-4-6-5-3-1;;;/h1-8H2;3-6H,1H3;1-5H;;2*1H/q;;;+2;;/p-2.
What are the key properties of CID 11377055?
CID 11377055 has a molecular weight of 616.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11377055 is sourced from PubChem (CID 11377055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).