cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate

C28H25NO3 — CID 132941529

IUPACcyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate
SMILESO=C(OC1CCCCC1)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C28H25NO3/c30-27(21-14-6-2-7-15-21)26-24(20-12-4-1-5-13-20)25(23-18-10-11-19-29(23)26)28(31)32-22-16-8-3-9-17-22/h1-2,4-7,10-15,18-19,22H,3,8-9,16-17H2
InChIKeyXIVLDBFHQRFNOP-UHFFFAOYSA-N
MW423.51 g/mol
LogP6.33
Rot. Bonds5

About cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate

cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate (PubChem CID 132941529) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate
PubChem CID132941529
Molecular FormulaC28H25NO3
Molecular Weight423.51 g/mol
Exact Mass423.18
IUPAC Namecyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate
SMILESO=C(OC1CCCCC1)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C28H25NO3/c30-27(21-14-6-2-7-15-21)26-24(20-12-4-1-5-13-20)25(23-18-10-11-19-29(23)26)28(31)32-22-16-8-3-9-17-22/h1-2,4-7,10-15,18-19,22H,3,8-9,16-17H2
InChIKeyXIVLDBFHQRFNOP-UHFFFAOYSA-N
XLogP6.33
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-benzoyl-2-phenylindolizine-3-carboxylate
CID 23251514
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
methyl 1-benzoyl-2-(4-cyanophenyl)indolizine-3-carboxylate
CID 11280435
6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
CID 12067040
ethyl 3-benzoyl-7-benzyl-2-phenylindolizine-1-carboxylate
CID 51056237
ethyl 3-benzoyl-1-cyclohex-2-en-1-ylsulfanylthieno[3,4-b]indolizine-4-carboxylate
CID 11612342
cyclohexyl 3-phenylbenzenecarboperoxoate
CID 173265257
(4-cyclohexylcyclohexyl) benzoate
CID 20686453
dibutyl 3-benzoylindolizine-1,2-dicarboxylate
CID 141260266
cyclohexyl benzenecarboperoxoate
CID 154097275
cyclopentyl (2-phenylphenyl) carbonate
CID 121311469
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate?
The IUPAC name of cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate (CID 132941529) is cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate.
What is the SMILES notation for cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate?
The canonical SMILES for cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate is O=C(OC1CCCCC1)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2ccccc12.
What is the InChIKey of cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate?
The InChIKey is XIVLDBFHQRFNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3/c30-27(21-14-6-2-7-15-21)26-24(20-12-4-1-5-13-20)25(23-18-10-11-19-29(23)26)28(31)32-22-16-8-3-9-17-22/h1-2,4-7,10-15,18-19,22H,3,8-9,16-17H2.
What are the key properties of cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate?
cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate is sourced from PubChem (CID 132941529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).