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

C14H15ClN2O4 — CID 91220191

IUPAC[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate
SMILESO=C(O)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C14H15ClN2O4/c15-11-3-1-10(2-4-11)12-9-14(21-16-12)5-7-17(8-6-14)20-13(18)19/h1-4,9,16H,5-8H2,(H,18,19)
InChIKeyUVTGZVIVIVPMKG-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.66
Rot. Bonds2

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

[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate (PubChem CID 91220191) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate
PubChem CID91220191
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate
SMILESO=C(O)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C14H15ClN2O4/c15-11-3-1-10(2-4-11)12-9-14(21-16-12)5-7-17(8-6-14)20-13(18)19/h1-4,9,16H,5-8H2,(H,18,19)
InChIKeyUVTGZVIVIVPMKG-UHFFFAOYSA-N
XLogP2.66
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[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
[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-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
Tert-butyl [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
CID 91371639
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-benzylcarbamate
CID 91533229
5(2H)-Isoxazolone, 3-(4-chlorophenyl)-4-(1-piperidinylmethyl)-
CID 12317628

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate?
The IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate (CID 91220191) is [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate.
What is the SMILES notation for [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate?
The canonical SMILES for [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate is O=C(O)ON1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate?
The InChIKey is UVTGZVIVIVPMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-11-3-1-10(2-4-11)12-9-14(21-16-12)5-7-17(8-6-14)20-13(18)19/h1-4,9,16H,5-8H2,(H,18,19).
What are the key properties of [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate?
[3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate has a molecular weight of 310.74 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] hydrogen carbonate is sourced from PubChem (CID 91220191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).