1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one

C22H26N2O — CID 54487789

IUPAC1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one
SMILESCN(CCN1C(=O)C2(CCCC2)c2ccccc21)Cc1ccccc1
InChIInChI=1S/C22H26N2O/c1-23(17-18-9-3-2-4-10-18)15-16-24-20-12-6-5-11-19(20)22(21(24)25)13-7-8-14-22/h2-6,9-12H,7-8,13-17H2,1H3
InChIKeyXTOMRNKCWIVXMD-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.98
Rot. Bonds5

About 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one

1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one (PubChem CID 54487789) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one
PubChem CID54487789
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one
SMILESCN(CCN1C(=O)C2(CCCC2)c2ccccc21)Cc1ccccc1
InChIInChI=1S/C22H26N2O/c1-23(17-18-9-3-2-4-10-18)15-16-24-20-12-6-5-11-19(20)22(21(24)25)13-7-8-14-22/h2-6,9-12H,7-8,13-17H2,1H3
InChIKeyXTOMRNKCWIVXMD-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one?
The IUPAC name of 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one (CID 54487789) is 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one?
The canonical SMILES for 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one is CN(CCN1C(=O)C2(CCCC2)c2ccccc21)Cc1ccccc1.
What is the InChIKey of 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one?
The InChIKey is XTOMRNKCWIVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23(17-18-9-3-2-4-10-18)15-16-24-20-12-6-5-11-19(20)22(21(24)25)13-7-8-14-22/h2-6,9-12H,7-8,13-17H2,1H3.
What are the key properties of 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one?
1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one has a molecular weight of 334.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one is sourced from PubChem (CID 54487789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).