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

C13H15NO2 — CID 95735238

IUPAC(2S)-spiro[3H-chromene-2,3'-piperidine]-4-one
SMILESO=C1C[C@]2(CCCNC2)Oc2ccccc21
InChIInChI=1S/C13H15NO2/c15-11-8-13(6-3-7-14-9-13)16-12-5-2-1-4-10(11)12/h1-2,4-5,14H,3,6-9H2/t13-/m0/s1
InChIKeyDKADPBOTFAEFOV-ZDUSSCGKSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds

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

(2S)-spiro[3H-chromene-2,3'-piperidine]-4-one (PubChem CID 95735238) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-spiro[3H-chromene-2,3'-piperidine]-4-one.

Molecular Properties

Compound Name(2S)-spiro[3H-chromene-2,3'-piperidine]-4-one
PubChem CID95735238
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2S)-spiro[3H-chromene-2,3'-piperidine]-4-one
SMILESO=C1C[C@]2(CCCNC2)Oc2ccccc21
InChIInChI=1S/C13H15NO2/c15-11-8-13(6-3-7-14-9-13)16-12-5-2-1-4-10(11)12/h1-2,4-5,14H,3,6-9H2/t13-/m0/s1
InChIKeyDKADPBOTFAEFOV-ZDUSSCGKSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-spiro[3H-chromene-2,3'-piperidine]-4-one?
The IUPAC name of (2S)-spiro[3H-chromene-2,3'-piperidine]-4-one (CID 95735238) is (2S)-spiro[3H-chromene-2,3'-piperidine]-4-one.
What is the SMILES notation for (2S)-spiro[3H-chromene-2,3'-piperidine]-4-one?
The canonical SMILES for (2S)-spiro[3H-chromene-2,3'-piperidine]-4-one is O=C1C[C@]2(CCCNC2)Oc2ccccc21.
What is the InChIKey of (2S)-spiro[3H-chromene-2,3'-piperidine]-4-one?
The InChIKey is DKADPBOTFAEFOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NO2/c15-11-8-13(6-3-7-14-9-13)16-12-5-2-1-4-10(11)12/h1-2,4-5,14H,3,6-9H2/t13-/m0/s1.
What are the key properties of (2S)-spiro[3H-chromene-2,3'-piperidine]-4-one?
(2S)-spiro[3H-chromene-2,3'-piperidine]-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-spiro[3H-chromene-2,3'-piperidine]-4-one is sourced from PubChem (CID 95735238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).