(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C21H24N4O2 — CID 166621211

IUPAC(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1[C@@H]1N(C(=O)C2CCCC2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H24N4O2/c1-24-13-11-22-18(24)17-21(15-8-4-5-9-16(15)23-20(21)27)10-12-25(17)19(26)14-6-2-3-7-14/h4-5,8-9,11,13-14,17H,2-3,6-7,10,12H2,1H3,(H,23,27)/t17-,21+/m0/s1
InChIKeyNKEQTETVPCSBKW-LAUBAEHRSA-N
MW364.45 g/mol
LogP2.77
Rot. Bonds2

About (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166621211) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166621211
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1[C@@H]1N(C(=O)C2CCCC2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H24N4O2/c1-24-13-11-22-18(24)17-21(15-8-4-5-9-16(15)23-20(21)27)10-12-25(17)19(26)14-6-2-3-7-14/h4-5,8-9,11,13-14,17H,2-3,6-7,10,12H2,1H3,(H,23,27)/t17-,21+/m0/s1
InChIKeyNKEQTETVPCSBKW-LAUBAEHRSA-N
XLogP2.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622198
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-methylpyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612458
1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624246
1'-(cyclohexanecarbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612985
(2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614061
(2'R,3R)-1'-(2-ethylpyrimidine-5-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171711902
1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615743
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(1-oxo-2,3-dihydroindene-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616832
(2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624050
(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622806
1'-(cyclohexanecarbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322445
(2'R,3R)-1'-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616575

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166621211) is (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1ccnc1[C@@H]1N(C(=O)C2CCCC2)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NKEQTETVPCSBKW-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-13-11-22-18(24)17-21(15-8-4-5-9-16(15)23-20(21)27)10-12-25(17)19(26)14-6-2-3-7-14/h4-5,8-9,11,13-14,17H,2-3,6-7,10,12H2,1H3,(H,23,27)/t17-,21+/m0/s1.
What are the key properties of (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166621211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).