[(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone

C20H26N2O2 — CID 98781466

IUPAC[(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1)N1CCCC1
InChIInChI=1S/C20H26N2O2/c23-19(21-9-3-4-10-21)18-11-20(14-24-18)17-6-2-1-5-16(17)13-22(20)12-15-7-8-15/h1-2,5-6,15,18H,3-4,7-14H2/t18-,20+/m0/s1
InChIKeyAFQPIPVIRUXUAT-AZUAARDMSA-N
MW326.44 g/mol
LogP2.52
Rot. Bonds3

About [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone

[(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone (PubChem CID 98781466) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
PubChem CID98781466
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1)N1CCCC1
InChIInChI=1S/C20H26N2O2/c23-19(21-9-3-4-10-21)18-11-20(14-24-18)17-6-2-1-5-16(17)13-22(20)12-15-7-8-15/h1-2,5-6,15,18H,3-4,7-14H2/t18-,20+/m0/s1
InChIKeyAFQPIPVIRUXUAT-AZUAARDMSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

(2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439480
2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 134074488
(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439490
[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
CID 131655489
[2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 119929953
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466847
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone
CID 118738843
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 134791330
(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
CID 134706756

Frequently Asked Questions

What is the IUPAC name of [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone (CID 98781466) is [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1C[C@@]2(CO1)c1ccccc1CN2CC1CC1)N1CCCC1.
What is the InChIKey of [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AFQPIPVIRUXUAT-AZUAARDMSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(21-9-3-4-10-21)18-11-20(14-24-18)17-6-2-1-5-16(17)13-22(20)12-15-7-8-15/h1-2,5-6,15,18H,3-4,7-14H2/t18-,20+/m0/s1.
What are the key properties of [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
[(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.44 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2'S,3S)-2-(cyclopropylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 98781466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).