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

C21H24N2OS — CID 118743275

IUPAC1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(CN2CCC3(C2)C(=O)N(CC2CC2)c2ccccc23)s1
InChIInChI=1S/C21H24N2OS/c1-15-6-9-17(25-15)13-22-11-10-21(14-22)18-4-2-3-5-19(18)23(20(21)24)12-16-7-8-16/h2-6,9,16H,7-8,10-14H2,1H3
InChIKeyWLYNLTSMGMRWLD-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.96
Rot. Bonds4

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

1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 118743275) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID118743275
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(CN2CCC3(C2)C(=O)N(CC2CC2)c2ccccc23)s1
InChIInChI=1S/C21H24N2OS/c1-15-6-9-17(25-15)13-22-11-10-21(14-22)18-4-2-3-5-19(18)23(20(21)24)12-16-7-8-16/h2-6,9,16H,7-8,10-14H2,1H3
InChIKeyWLYNLTSMGMRWLD-UHFFFAOYSA-N
XLogP3.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 118743275) is 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is Cc1ccc(CN2CCC3(C2)C(=O)N(CC2CC2)c2ccccc23)s1.
What is the InChIKey of 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is WLYNLTSMGMRWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-15-6-9-17(25-15)13-22-11-10-21(14-22)18-4-2-3-5-19(18)23(20(21)24)12-16-7-8-16/h2-6,9,16H,7-8,10-14H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 352.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 118743275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).