1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C17H21NO3 — CID 7260499

IUPAC1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C17H21NO3/c1-12(2)16(20)18-9-7-17(8-10-18)11-14(19)13-5-3-4-6-15(13)21-17/h3-6,12H,7-11H2,1-2H3
InChIKeyWSIHTRLOZHONNU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds1

About 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260499) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260499
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C17H21NO3/c1-12(2)16(20)18-9-7-17(8-10-18)11-14(19)13-5-3-4-6-15(13)21-17/h3-6,12H,7-11H2,1-2H3
InChIKeyWSIHTRLOZHONNU-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260499) is 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is CC(C)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is WSIHTRLOZHONNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)16(20)18-9-7-17(8-10-18)11-14(19)13-5-3-4-6-15(13)21-17/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).