1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one

C20H28N2O3 — CID 124820278

IUPAC1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1CC2(C1)OCC[C@H]2CCN1CCCC1=O
InChIInChI=1S/C20H28N2O3/c1-24-18-6-3-2-5-16(18)13-21-14-20(15-21)17(9-12-25-20)8-11-22-10-4-7-19(22)23/h2-3,5-6,17H,4,7-15H2,1H3/t17-/m1/s1
InChIKeyVATJGFRHQXPIBV-QGZVFWFLSA-N
MW344.45 g/mol
LogP2.30
Rot. Bonds6

About 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one

1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one (PubChem CID 124820278) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
PubChem CID124820278
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1CC2(C1)OCC[C@H]2CCN1CCCC1=O
InChIInChI=1S/C20H28N2O3/c1-24-18-6-3-2-5-16(18)13-21-14-20(15-21)17(9-12-25-20)8-11-22-10-4-7-19(22)23/h2-3,5-6,17H,4,7-15H2,1H3/t17-/m1/s1
InChIKeyVATJGFRHQXPIBV-QGZVFWFLSA-N
XLogP2.30
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[(2-chlorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155845487
1-[2-[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
CID 133140365
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131662219
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1,2-oxazole-5-carboxamide
CID 133137467
(8S)-2-[(2-methoxyphenyl)methyl]-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124817074
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
CID 131641516
1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
CID 124812870
2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139489
(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796905
(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124818022
9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 98894470
1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82129052

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one (CID 124820278) is 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one is COc1ccccc1CN1CC2(C1)OCC[C@H]2CCN1CCCC1=O.
What is the InChIKey of 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
The InChIKey is VATJGFRHQXPIBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-18-6-3-2-5-16(18)13-21-14-20(15-21)17(9-12-25-20)8-11-22-10-4-7-19(22)23/h2-3,5-6,17H,4,7-15H2,1H3/t17-/m1/s1.
What are the key properties of 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 124820278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).