spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one

C17H17NO2 — CID 16643166

IUPACspiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
SMILESO=C1CC2(CCNCC2)Oc2ccc3ccccc3c21
InChIInChI=1S/C17H17NO2/c19-14-11-17(7-9-18-10-8-17)20-15-6-5-12-3-1-2-4-13(12)16(14)15/h1-6,18H,7-11H2
InChIKeyZAGMSDMSYXWCPG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.93
Rot. Bonds

About spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one

spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one (PubChem CID 16643166) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one.

Molecular Properties

Compound Namespiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
PubChem CID16643166
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namespiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
SMILESO=C1CC2(CCNCC2)Oc2ccc3ccccc3c21
InChIInChI=1S/C17H17NO2/c19-14-11-17(7-9-18-10-8-17)20-15-6-5-12-3-1-2-4-13(12)16(14)15/h1-6,18H,7-11H2
InChIKeyZAGMSDMSYXWCPG-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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Related Compounds

spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride
CID 68663344
(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
CID 830125
6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 16643155
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045708
spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
CID 12704137
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
CID 68984003
7-methylspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one;hydrochloride
CID 178145475
1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]
CID 82047282

Frequently Asked Questions

What is the IUPAC name of spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one?
The IUPAC name of spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one (CID 16643166) is spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one.
What is the SMILES notation for spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one?
The canonical SMILES for spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one is O=C1CC2(CCNCC2)Oc2ccc3ccccc3c21.
What is the InChIKey of spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one?
The InChIKey is ZAGMSDMSYXWCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-14-11-17(7-9-18-10-8-17)20-15-6-5-12-3-1-2-4-13(12)16(14)15/h1-6,18H,7-11H2.
What are the key properties of spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one?
spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-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[2H-benzo[f]chromene-3,4'-piperidine]-1-one is sourced from PubChem (CID 16643166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).