1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one

C18H23NO3 — CID 171146932

IUPAC1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C18H23NO3/c20-16-7-4-14-22-18(16)10-12-19(13-11-18)17(21)9-8-15-5-2-1-3-6-15/h1-3,5-6,8-9,16,20H,4,7,10-14H2
InChIKeyHJLKXDDUWMPNTK-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.23
Rot. Bonds2

About 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one (PubChem CID 171146932) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one
PubChem CID171146932
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C18H23NO3/c20-16-7-4-14-22-18(16)10-12-19(13-11-18)17(21)9-8-15-5-2-1-3-6-15/h1-3,5-6,8-9,16,20H,4,7,10-14H2
InChIKeyHJLKXDDUWMPNTK-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 110156877
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
2,3-dihydro-1H-inden-2-yl-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 126430965
1-[(5R,9R)-9-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-phenylprop-2-en-1-one
CID 171148311
2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124959970
1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024152
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024153
2-(2-chloro-6-fluorophenyl)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 72884255
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
(E)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]-3-phenylprop-2-en-1-one
CID 97128224
(E)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-3-phenylprop-2-en-1-one
CID 72880194

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one (CID 171146932) is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one?
The InChIKey is HJLKXDDUWMPNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-16-7-4-14-22-18(16)10-12-19(13-11-18)17(21)9-8-15-5-2-1-3-6-15/h1-3,5-6,8-9,16,20H,4,7,10-14H2.
What are the key properties of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one?
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 171146932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).