1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one

C21H26N2OS — CID 118739701

IUPAC1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(CN2CCC3(C2)C(=O)N(CC(C)C)c2ccccc23)s1
InChIInChI=1S/C21H26N2OS/c1-15(2)12-23-19-7-5-4-6-18(19)21(20(23)24)10-11-22(14-21)13-17-9-8-16(3)25-17/h4-9,15H,10-14H2,1-3H3
InChIKeyCDLIVLOXLFNKAL-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one

1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 118739701) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID118739701
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(CN2CCC3(C2)C(=O)N(CC(C)C)c2ccccc23)s1
InChIInChI=1S/C21H26N2OS/c1-15(2)12-23-19-7-5-4-6-18(19)21(20(23)24)10-11-22(14-21)13-17-9-8-16(3)25-17/h4-9,15H,10-14H2,1-3H3
InChIKeyCDLIVLOXLFNKAL-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-3-ethyl-1H-indol-2-one
CID 11566558
2a-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1-methyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 11740526
2a-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1-ethyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 18377388
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
2,3-Dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 2576382
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 2971209
1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-thiophen-2-ylethanone;hydrochloride
CID 6603214
2a-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1-(111C)methyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 11143387
2a-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentyl]-1-(111C)methyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 73347582
(3R,4R)-4-(5-tert-butylthiophen-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 155540626
(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 3579793
(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine-3-carboxamide
CID 155526665

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 118739701) is 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is Cc1ccc(CN2CCC3(C2)C(=O)N(CC(C)C)c2ccccc23)s1.
What is the InChIKey of 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is CDLIVLOXLFNKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-15(2)12-23-19-7-5-4-6-18(19)21(20(23)24)10-11-22(14-21)13-17-9-8-16(3)25-17/h4-9,15H,10-14H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 354.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 118739701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).