8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C14H17FN2O2 — CID 82046364

IUPAC8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1cc(F)cc(N)c1O2
InChIInChI=1S/C14H17FN2O2/c1-17-4-2-14(3-5-17)8-12(18)10-6-9(15)7-11(16)13(10)19-14/h6-7H,2-5,8,16H2,1H3
InChIKeyBVGUKJPGYGHQDO-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.84
Rot. Bonds

About 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one

8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 82046364) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID82046364
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1cc(F)cc(N)c1O2
InChIInChI=1S/C14H17FN2O2/c1-17-4-2-14(3-5-17)8-12(18)10-6-9(15)7-11(16)13(10)19-14/h6-7H,2-5,8,16H2,1H3
InChIKeyBVGUKJPGYGHQDO-UHFFFAOYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 82046364) is 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one is CN1CCC2(CC1)CC(=O)c1cc(F)cc(N)c1O2.
What is the InChIKey of 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is BVGUKJPGYGHQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-17-4-2-14(3-5-17)8-12(18)10-6-9(15)7-11(16)13(10)19-14/h6-7H,2-5,8,16H2,1H3.
What are the key properties of 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 264.30 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-fluoro-1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 82046364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).