(1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone

C23H26N2O2 — CID 134077132

IUPAC(1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC2(CO1)CN(Cc1ccccc1)c1ccccc12)N1CCCC1
InChIInChI=1S/C23H26N2O2/c26-22(24-12-6-7-13-24)21-14-23(17-27-21)16-25(15-18-8-2-1-3-9-18)20-11-5-4-10-19(20)23/h1-5,8-11,21H,6-7,12-17H2
InChIKeyIWCDZMJBVYZGCC-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.36
Rot. Bonds3

About (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone

(1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone (PubChem CID 134077132) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone
PubChem CID134077132
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC2(CO1)CN(Cc1ccccc1)c1ccccc12)N1CCCC1
InChIInChI=1S/C23H26N2O2/c26-22(24-12-6-7-13-24)21-14-23(17-27-21)16-25(15-18-8-2-1-3-9-18)20-11-5-4-10-19(20)23/h1-5,8-11,21H,6-7,12-17H2
InChIKeyIWCDZMJBVYZGCC-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2371761
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 4283568
1-(cyclopropylmethyl)-1'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
CID 97386074
(3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
CID 162651123
4-phenyl-N-(1-(tetrahydrofuran-2-carbonyl)indolin-6-yl)tetrahydro-2H-pyran-4-carboxamide
CID 44042458
3-(2-Ethoxypropyl)-1-methyl-3-phenylindol-2-one
CID 102199441
1-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[indole-3,4'-piperidine]-2-one
CID 95724009
N-benzyl-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131655772
[1-[(2,4-difluorophenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
CID 131661763
1-[1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-oxolane]-2'-yl]-3-morpholin-4-ylpropan-1-one
CID 134689550
7-Fluoro-1-[(3-fluorophenyl)-(oxolan-2-yl)methyl]-3,3-dimethylindol-2-one
CID 143635731
1'-Benzyl-4-fluoro-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 146592304

Frequently Asked Questions

What is the IUPAC name of (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone (CID 134077132) is (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone is O=C(C1CC2(CO1)CN(Cc1ccccc1)c1ccccc12)N1CCCC1.
What is the InChIKey of (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is IWCDZMJBVYZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-22(24-12-6-7-13-24)21-14-23(17-27-21)16-25(15-18-8-2-1-3-9-18)20-11-5-4-10-19(20)23/h1-5,8-11,21H,6-7,12-17H2.
What are the key properties of (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone?
(1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 362.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylspiro[2H-indole-3,4'-oxolane]-2'-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134077132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).