3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one

C15H17ClN2O — CID 22428572

IUPAC3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
SMILESO=C1NC2(CCCCCC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c16-12-7-5-11(6-8-12)13-14(19)18-15(17-13)9-3-1-2-4-10-15/h5-8H,1-4,9-10H2,(H,18,19)
InChIKeyASOWJURGSNTWNB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.31
Rot. Bonds1

About 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one

3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 22428572) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
PubChem CID22428572
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
SMILESO=C1NC2(CCCCCC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c16-12-7-5-11(6-8-12)13-14(19)18-15(17-13)9-3-1-2-4-10-15/h5-8H,1-4,9-10H2,(H,18,19)
InChIKeyASOWJURGSNTWNB-UHFFFAOYSA-N
XLogP3.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one (CID 22428572) is 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one is O=C1NC2(CCCCCC2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is ASOWJURGSNTWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-12-7-5-11(6-8-12)13-14(19)18-15(17-13)9-3-1-2-4-10-15/h5-8H,1-4,9-10H2,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one?
3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 276.77 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 22428572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).