3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one

C14H15ClN2O2 — CID 15091271

IUPAC3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
SMILESCC1(C)CC2(CC(c3ccccc3Cl)=NO2)C(=O)N1
InChIInChI=1S/C14H15ClN2O2/c1-13(2)8-14(12(18)16-13)7-11(17-19-14)9-5-3-4-6-10(9)15/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyKSDGZQUOXAKHHD-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.50
Rot. Bonds1

About 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one

3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one (PubChem CID 15091271) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
PubChem CID15091271
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
SMILESCC1(C)CC2(CC(c3ccccc3Cl)=NO2)C(=O)N1
InChIInChI=1S/C14H15ClN2O2/c1-13(2)8-14(12(18)16-13)7-11(17-19-14)9-5-3-4-6-10(9)15/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyKSDGZQUOXAKHHD-UHFFFAOYSA-N
XLogP2.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
The IUPAC name of 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one (CID 15091271) is 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one.
What is the SMILES notation for 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
The canonical SMILES for 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one is CC1(C)CC2(CC(c3ccccc3Cl)=NO2)C(=O)N1.
What is the InChIKey of 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
The InChIKey is KSDGZQUOXAKHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-13(2)8-14(12(18)16-13)7-11(17-19-14)9-5-3-4-6-10(9)15/h3-6H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one has a molecular weight of 278.74 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-8,8-dimethyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one is sourced from PubChem (CID 15091271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).