2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one

C14H18N2O2 — CID 81142185

IUPAC2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one
SMILESCC1(C)CC2(NCCNC2=O)c2ccccc2O1
InChIInChI=1S/C14H18N2O2/c1-13(2)9-14(12(17)15-7-8-16-14)10-5-3-4-6-11(10)18-13/h3-6,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyXSWTZGJOSPLSAS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.16
Rot. Bonds

About 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one

2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one (PubChem CID 81142185) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one.

Molecular Properties

Compound Name2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one
PubChem CID81142185
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one
SMILESCC1(C)CC2(NCCNC2=O)c2ccccc2O1
InChIInChI=1S/C14H18N2O2/c1-13(2)9-14(12(17)15-7-8-16-14)10-5-3-4-6-11(10)18-13/h3-6,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyXSWTZGJOSPLSAS-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one?
The IUPAC name of 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one (CID 81142185) is 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one.
What is the SMILES notation for 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one?
The canonical SMILES for 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one is CC1(C)CC2(NCCNC2=O)c2ccccc2O1.
What is the InChIKey of 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one?
The InChIKey is XSWTZGJOSPLSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-13(2)9-14(12(17)15-7-8-16-14)10-5-3-4-6-11(10)18-13/h3-6,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one?
2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one has a molecular weight of 246.31 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylspiro[3H-chromene-4,3'-piperazine]-2'-one is sourced from PubChem (CID 81142185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).