(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol

C18H25NO — CID 165422452

IUPAC(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@@]12CCCN(C/C=C/c1ccccc1)C2
InChIInChI=1S/C18H25NO/c20-17-10-4-11-18(17)12-6-14-19(15-18)13-5-9-16-7-2-1-3-8-16/h1-3,5,7-9,17,20H,4,6,10-15H2/b9-5+/t17-,18+/m1/s1
InChIKeyDLQGNQAJOKEGQV-LUUOPXGJSA-N
MW271.40 g/mol
LogP3.33
Rot. Bonds3

About (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol

(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 165422452) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID165422452
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@@]12CCCN(C/C=C/c1ccccc1)C2
InChIInChI=1S/C18H25NO/c20-17-10-4-11-18(17)12-6-14-19(15-18)13-5-9-16-7-2-1-3-8-16/h1-3,5,7-9,17,20H,4,6,10-15H2/b9-5+/t17-,18+/m1/s1
InChIKeyDLQGNQAJOKEGQV-LUUOPXGJSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(6R,11R)-11-hydroxy-8-(3-phenylprop-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone
CID 171148212
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 154915709
(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol
CID 135120621
3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
CID 76986276
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
2-[(E)-3-phenylprop-2-enyl]-2-azaspiro[3.3]heptane
CID 130375967
(4R,5S)-7-(4-phenylmethoxybutyl)-7-azaspiro[4.5]decan-4-ol
CID 135098288
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
formic acid;(4R,5S)-7-(3-phenylmethoxypropyl)-7-azaspiro[4.5]decan-4-ol
CID 154918067

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol (CID 165422452) is (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol is O[C@@H]1CCC[C@@]12CCCN(C/C=C/c1ccccc1)C2.
What is the InChIKey of (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is DLQGNQAJOKEGQV-LUUOPXGJSA-N. The full InChI is InChI=1S/C18H25NO/c20-17-10-4-11-18(17)12-6-14-19(15-18)13-5-9-16-7-2-1-3-8-16/h1-3,5,7-9,17,20H,4,6,10-15H2/b9-5+/t17-,18+/m1/s1.
What are the key properties of (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 271.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 165422452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).