1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one

C17H21NO3 — CID 7260497

IUPAC1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCCC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C17H21NO3/c1-2-5-16(20)18-10-8-17(9-11-18)12-14(19)13-6-3-4-7-15(13)21-17/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyBXZGFNXPSXRYBG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.81
Rot. Bonds2

About 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260497) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260497
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCCC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C17H21NO3/c1-2-5-16(20)18-10-8-17(9-11-18)12-14(19)13-6-3-4-7-15(13)21-17/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyBXZGFNXPSXRYBG-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260497) is 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one is CCCC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is BXZGFNXPSXRYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-5-16(20)18-10-8-17(9-11-18)12-14(19)13-6-3-4-7-15(13)21-17/h3-4,6-7H,2,5,8-12H2,1H3.
What are the key properties of 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butanoylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).