(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one

C18H23NO2 — CID 56889620

IUPAC(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
SMILESC/C=C/CC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H23NO2/c1-2-3-8-17(21)19-11-9-18(10-12-19)15-7-5-4-6-14(15)13-16(18)20/h2-7,16,20H,8-13H2,1H3/b3-2+
InChIKeyJCJGKVKXNDEQOF-NSCUHMNNSA-N
MW285.39 g/mol
LogP2.43
Rot. Bonds2

About (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one

(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one (PubChem CID 56889620) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
PubChem CID56889620
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
SMILESC/C=C/CC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H23NO2/c1-2-3-8-17(21)19-11-9-18(10-12-19)15-7-5-4-6-14(15)13-16(18)20/h2-7,16,20H,8-13H2,1H3/b3-2+
InChIKeyJCJGKVKXNDEQOF-NSCUHMNNSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 95726493
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 74249946
2-(2-ethylimidazol-1-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 56895286
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one
CID 56894938
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95723009
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid
CID 58632796
6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 72920747
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 95726170
(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 56891399
(E)-1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pent-3-en-1-one
CID 97276986
(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 56884985
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95730053

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one?
The IUPAC name of (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one (CID 56889620) is (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one is C/C=C/CC(=O)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one?
The InChIKey is JCJGKVKXNDEQOF-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-3-8-17(21)19-11-9-18(10-12-19)15-7-5-4-6-14(15)13-16(18)20/h2-7,16,20H,8-13H2,1H3/b3-2+.
What are the key properties of (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one?
(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one has a molecular weight of 285.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one is sourced from PubChem (CID 56889620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).