CID 11262251

C23H30BiCl2N2O2 — CID 11262251

IUPAC—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C9H16N2.2C7H7O.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;2*1-8-7-5-3-2-4-6-7;;;/h1-8H2;2*3-6H,1H3;;2*1H/q;;;+2;;/p-2
InChIKeyVMWVLCDZSZJOPD-UHFFFAOYSA-L
MW646.39 g/mol
LogP4.40
Rot. Bonds4

About CID 11262251

CID 11262251 (PubChem CID 11262251) has the molecular formula C23H30BiCl2N2O2 and a molecular weight of 646.39 g/mol.

Molecular Properties

Compound NameCID 11262251
PubChem CID11262251
Molecular FormulaC23H30BiCl2N2O2
Molecular Weight646.39 g/mol
Exact Mass645.15
IUPAC Name—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C9H16N2.2C7H7O.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;2*1-8-7-5-3-2-4-6-7;;;/h1-8H2;2*3-6H,1H3;;2*1H/q;;;+2;;/p-2
InChIKeyVMWVLCDZSZJOPD-UHFFFAOYSA-L
XLogP4.40
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine;phenyl hydrogen carbonate
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CID 11285220
CID 11285220
CID 11377055
CID 11377055
CID 11399703
CID 11399703
CID 11422349
CID 11422349
CID 11786959
CID 11786959
Phenyl 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of CID 11262251?
The IUPAC name of CID 11262251 (CID 11262251) is not available.
What is the SMILES notation for CID 11262251?
The canonical SMILES for CID 11262251 is C1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(OC)cc2)cc1.
What is the InChIKey of CID 11262251?
The InChIKey is VMWVLCDZSZJOPD-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H16N2.2C7H7O.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;2*1-8-7-5-3-2-4-6-7;;;/h1-8H2;2*3-6H,1H3;;2*1H/q;;;+2;;/p-2.
What are the key properties of CID 11262251?
CID 11262251 has a molecular weight of 646.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11262251 is sourced from PubChem (CID 11262251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).