tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate

C18H23ClN2O4 — CID 91371639

IUPACtert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
SMILESCC(C)(C)OC(=O)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C18H23ClN2O4/c1-17(2,3)23-16(22)24-21-10-8-18(9-11-21)12-15(20-25-18)13-4-6-14(19)7-5-13/h4-7,12,20H,8-11H2,1-3H3
InChIKeyNVCUTIZIHPVJJM-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.92
Rot. Bonds2

About tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate

tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate (PubChem CID 91371639) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
PubChem CID91371639
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Nametert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
SMILESCC(C)(C)OC(=O)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C18H23ClN2O4/c1-17(2,3)23-16(22)24-21-10-8-18(9-11-21)12-15(20-25-18)13-4-6-14(19)7-5-13/h4-7,12,20H,8-11H2,1-3H3
InChIKeyNVCUTIZIHPVJJM-UHFFFAOYSA-N
XLogP3.92
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,4-Dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57208828
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
CID 90784345
3-(4-Chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90822069
Tert-butyl 4-[amino-(4-chlorophenyl)methylidene]piperidine-1-carboxylate
CID 90883845
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-[(4-methylphenyl)methyl]carbamate
CID 90928494
3-Chloro-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90941538
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-[(2-methylphenyl)methyl]carbamate
CID 90962337
[3-(4-Chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-4-yl] hydrogen carbonate
CID 91032242
Tert-butyl 3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91139083
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
CID 91143763
[3-(4-Chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate
CID 91220191
Tert-butyl 3-[(4-chlorophenyl)methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91241467

Frequently Asked Questions

What is the IUPAC name of tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate?
The IUPAC name of tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate (CID 91371639) is tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate.
What is the SMILES notation for tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate?
The canonical SMILES for tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate is CC(C)(C)OC(=O)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1.
What is the InChIKey of tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate?
The InChIKey is NVCUTIZIHPVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-17(2,3)23-16(22)24-21-10-8-18(9-11-21)12-15(20-25-18)13-4-6-14(19)7-5-13/h4-7,12,20H,8-11H2,1-3H3.
What are the key properties of tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate?
tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate has a molecular weight of 366.85 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate is sourced from PubChem (CID 91371639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).