tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate

C21H21NO2 — CID 132567342

IUPACtert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate
SMILESCC(C)(C)OC(=O)c1c2c(n3ccccc13)-c1ccccc1CC2
InChIInChI=1S/C21H21NO2/c1-21(2,3)24-20(23)18-16-12-11-14-8-4-5-9-15(14)19(16)22-13-7-6-10-17(18)22/h4-10,13H,11-12H2,1-3H3
InChIKeyWCILDMQSNQYPOK-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.66
Rot. Bonds1

About tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate

tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate (PubChem CID 132567342) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate
PubChem CID132567342
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Nametert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate
SMILESCC(C)(C)OC(=O)c1c2c(n3ccccc13)-c1ccccc1CC2
InChIInChI=1S/C21H21NO2/c1-21(2,3)24-20(23)18-16-12-11-14-8-4-5-9-15(14)19(16)22-13-7-6-10-17(18)22/h4-10,13H,11-12H2,1-3H3
InChIKeyWCILDMQSNQYPOK-UHFFFAOYSA-N
XLogP4.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 5-oxo-2,4-dihydro-1H-3-benzazepine-3-carboxylate
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tert-butyl 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
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ditert-butyl bicyclo[7.2.2]trideca-1(11),9,12-triene-10,11-dicarboxylate
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CID 162139404
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate?
The IUPAC name of tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate (CID 132567342) is tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate.
What is the SMILES notation for tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate?
The canonical SMILES for tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate is CC(C)(C)OC(=O)c1c2c(n3ccccc13)-c1ccccc1CC2.
What is the InChIKey of tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate?
The InChIKey is WCILDMQSNQYPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-21(2,3)24-20(23)18-16-12-11-14-8-4-5-9-15(14)19(16)22-13-7-6-10-17(18)22/h4-10,13H,11-12H2,1-3H3.
What are the key properties of tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate?
tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5,6-dihydronaphtho[2,1-b]indolizine-7-carboxylate is sourced from PubChem (CID 132567342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).