(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione

C19H17NO3 — CID 132554346

IUPAC(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC[C@@H]1CC(=O)O[C@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C19H17NO3/c1-13-11-17(21)23-19(13)15-9-5-6-10-16(15)20(18(19)22)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-,19-/m1/s1
InChIKeyLZHHYSDOEBTBAR-BFUOFWGJSA-N
MW307.35 g/mol
LogP3.01
Rot. Bonds2

About (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione

(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 132554346) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID132554346
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC[C@@H]1CC(=O)O[C@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C19H17NO3/c1-13-11-17(21)23-19(13)15-9-5-6-10-16(15)20(18(19)22)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-,19-/m1/s1
InChIKeyLZHHYSDOEBTBAR-BFUOFWGJSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
CID 102400070
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
1-benzyl-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxyindol-2-one
CID 655041
1-benzyl-3,3-dimethylindole-2-thione
CID 848846
CID 10918811
CID 10918811
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
CID 102218446
CID 102218446
(3R,3'S,5'S)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxoazetidin-1-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23958219
(3S)-1-benzyl-3-phenyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]indol-2-one
CID 154713001
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098
(3S)-1-benzyl-3-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-3-propan-2-ylindol-2-one
CID 102352947

Frequently Asked Questions

What is the IUPAC name of (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione (CID 132554346) is (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione is C[C@@H]1CC(=O)O[C@]12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is LZHHYSDOEBTBAR-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13-11-17(21)23-19(13)15-9-5-6-10-16(15)20(18(19)22)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-,19-/m1/s1.
What are the key properties of (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione?
(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 307.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 132554346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).