(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone

C17H21NO2 — CID 126449981

IUPAC(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone
SMILESO=C(N1CC(O)C1)[C@@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C17H21NO2/c19-14-10-18(11-14)15(20)17(13-6-2-1-3-7-13)12-16(17)8-4-5-9-16/h1-3,6-7,14,19H,4-5,8-12H2/t17-/m0/s1
InChIKeyBXIXKKOWQIOHEU-KRWDZBQOSA-N
MW271.36 g/mol
LogP2.09
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone

(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone (PubChem CID 126449981) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone
PubChem CID126449981
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone
SMILESO=C(N1CC(O)C1)[C@@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C17H21NO2/c19-14-10-18(11-14)15(20)17(13-6-2-1-3-7-13)12-16(17)8-4-5-9-16/h1-3,6-7,14,19H,4-5,8-12H2/t17-/m0/s1
InChIKeyBXIXKKOWQIOHEU-KRWDZBQOSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-phenylspiro[2.4]heptan-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 95709589
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423700
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 107220719
(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 63107346
(2S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126427661
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-phenylspiro[2.4]heptane-2-carboxamide
CID 119060920
(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 126433749
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
(2R)-2-phenylspiro[2.5]octan-2-amine
CID 131887736
(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 126443610

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone (CID 126449981) is (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone is O=C(N1CC(O)C1)[C@@]1(c2ccccc2)CC12CCCC2.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone?
The InChIKey is BXIXKKOWQIOHEU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO2/c19-14-10-18(11-14)15(20)17(13-6-2-1-3-7-13)12-16(17)8-4-5-9-16/h1-3,6-7,14,19H,4-5,8-12H2/t17-/m0/s1.
What are the key properties of (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone?
(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone has a molecular weight of 271.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone is sourced from PubChem (CID 126449981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).