spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one

C17H17NO2 — CID 16643165

IUPACspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2c1ccc1ccccc21
InChIInChI=1S/C17H17NO2/c19-15-11-17(7-9-18-10-8-17)20-16-13-4-2-1-3-12(13)5-6-14(15)16/h1-6,18H,7-11H2
InChIKeyUPIGPAGYEVWMMP-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.93
Rot. Bonds

About spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one

spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one (PubChem CID 16643165) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Namespiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one
PubChem CID16643165
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namespiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2c1ccc1ccccc21
InChIInChI=1S/C17H17NO2/c19-15-11-17(7-9-18-10-8-17)20-16-13-4-2-1-3-12(13)5-6-14(15)16/h1-6,18H,7-11H2
InChIKeyUPIGPAGYEVWMMP-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one?
The IUPAC name of spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one (CID 16643165) is spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one?
The canonical SMILES for spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one is O=C1CC2(CCNCC2)Oc2c1ccc1ccccc21.
What is the InChIKey of spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one?
The InChIKey is UPIGPAGYEVWMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-15-11-17(7-9-18-10-8-17)20-16-13-4-2-1-3-12(13)5-6-14(15)16/h1-6,18H,7-11H2.
What are the key properties of spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one?
spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one has a molecular weight of 267.33 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 16643165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).