2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C18H25N3O — CID 123234321

IUPAC2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCN(C)[C@@H]1CCN(CCC2CC23C(=O)Nc2ccccc23)C1
InChIInChI=1S/C18H25N3O/c1-20(2)14-8-10-21(12-14)9-7-13-11-18(13)15-5-3-4-6-16(15)19-17(18)22/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)/t13?,14-,18?/m1/s1
InChIKeyLBXGOSIXGALJTL-TXKKKEFDSA-N
MW299.42 g/mol
LogP1.92
Rot. Bonds4

About 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one

2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 123234321) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID123234321
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCN(C)[C@@H]1CCN(CCC2CC23C(=O)Nc2ccccc23)C1
InChIInChI=1S/C18H25N3O/c1-20(2)14-8-10-21(12-14)9-7-13-11-18(13)15-5-3-4-6-16(15)19-17(18)22/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)/t13?,14-,18?/m1/s1
InChIKeyLBXGOSIXGALJTL-TXKKKEFDSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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Related Compounds

(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide
CID 166614292
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
(3S,5S,6S,9S)-6-propylspiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
CID 122372169
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 63163799
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952
(2'S,3S)-1'-(4-hydroxycyclohexanecarbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618240
3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
CID 139845149
N,N-dimethyl-1-(2-piperidin-4-ylethyl)piperidin-3-amine;dihydrochloride
CID 120663622
(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620844
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 90935335
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076

Frequently Asked Questions

What is the IUPAC name of 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 123234321) is 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one is CN(C)[C@@H]1CCN(CCC2CC23C(=O)Nc2ccccc23)C1.
What is the InChIKey of 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is LBXGOSIXGALJTL-TXKKKEFDSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20(2)14-8-10-21(12-14)9-7-13-11-18(13)15-5-3-4-6-16(15)19-17(18)22/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)/t13?,14-,18?/m1/s1.
What are the key properties of 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 299.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 123234321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).