(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one

C14H17NO2 — CID 125450834

IUPAC(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
SMILESCOc1cccc([C@H]2CNC(=O)C23CCC3)c1
InChIInChI=1S/C14H17NO2/c1-17-11-5-2-4-10(8-11)12-9-15-13(16)14(12)6-3-7-14/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyRBHIJCYVSHVMTR-GFCCVEGCSA-N
MW231.29 g/mol
LogP2.08
Rot. Bonds2

About (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one

(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one (PubChem CID 125450834) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
PubChem CID125450834
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
SMILESCOc1cccc([C@H]2CNC(=O)C23CCC3)c1
InChIInChI=1S/C14H17NO2/c1-17-11-5-2-4-10(8-11)12-9-15-13(16)14(12)6-3-7-14/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyRBHIJCYVSHVMTR-GFCCVEGCSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one
CID 125451516
4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 91799142
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334
7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione
CID 10526991
(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 96530490
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
CID 84725231
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 71170186
5a-(3-methoxyphenyl)-2,4,5,6,7,8,9,9a-octahydro-1H-benzo[c]azepin-3-one
CID 21330649
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957
7-(3-methoxyphenyl)azepan-2-one
CID 12665502
(2R,4R,6R,8S)-2,4,6,8-tetrakis(3-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 98153067

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one?
The IUPAC name of (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one (CID 125450834) is (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one.
What is the SMILES notation for (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one?
The canonical SMILES for (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one is COc1cccc([C@H]2CNC(=O)C23CCC3)c1.
What is the InChIKey of (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one?
The InChIKey is RBHIJCYVSHVMTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-11-5-2-4-10(8-11)12-9-15-13(16)14(12)6-3-7-14/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one?
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one has a molecular weight of 231.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one is sourced from PubChem (CID 125450834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).