7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one

C26H30N2O4 — CID 56967956

IUPAC7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one
SMILESCCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(CCN2CCCC2=O)c2ccccc21
InChIInChI=1S/C26H30N2O4/c1-4-31-18-11-12-20-22(16-18)32-25(2,3)17-26(20)19-8-5-6-9-21(19)28(24(26)30)15-14-27-13-7-10-23(27)29/h5-6,8-9,11-12,16H,4,7,10,13-15,17H2,1-3H3
InChIKeyIOQBFVLCCBREPE-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.90
Rot. Bonds5

About 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one

7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one (PubChem CID 56967956) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one.

Molecular Properties

Compound Name7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one
PubChem CID56967956
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one
SMILESCCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(CCN2CCCC2=O)c2ccccc21
InChIInChI=1S/C26H30N2O4/c1-4-31-18-11-12-20-22(16-18)32-25(2,3)17-26(20)19-8-5-6-9-21(19)28(24(26)30)15-14-27-13-7-10-23(27)29/h5-6,8-9,11-12,16H,4,7,10,13-15,17H2,1-3H3
InChIKeyIOQBFVLCCBREPE-UHFFFAOYSA-N
XLogP3.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one with MolForge

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Related Compounds

7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one
CID 56967527
4-[(7-ethoxy-2,2-dimethyl-2'-oxospiro[3H-chromene-4,3'-indole]-1'-yl)methyl]benzonitrile
CID 56967647
6,7-diethoxy-2,2-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-chromene-4,3'-indole]-2'-one
CID 56967168
2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one
CID 56967113
7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one
CID 56967283
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 45280167
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
1-[3-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111116480
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one
CID 170557199

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one?
The IUPAC name of 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one (CID 56967956) is 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one.
What is the SMILES notation for 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one?
The canonical SMILES for 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one is CCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(CCN2CCCC2=O)c2ccccc21.
What is the InChIKey of 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one?
The InChIKey is IOQBFVLCCBREPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-4-31-18-11-12-20-22(16-18)32-25(2,3)17-26(20)19-8-5-6-9-21(19)28(24(26)30)15-14-27-13-7-10-23(27)29/h5-6,8-9,11-12,16H,4,7,10,13-15,17H2,1-3H3.
What are the key properties of 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one?
7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one has a molecular weight of 434.54 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one is sourced from PubChem (CID 56967956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).