3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one

C20H17NO2 — CID 122380485

IUPAC3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one
SMILESCOc1ccc(C2=CC(=O)CC23C(C)=Nc2ccccc23)cc1
InChIInChI=1S/C20H17NO2/c1-13-20(17-5-3-4-6-19(17)21-13)12-15(22)11-18(20)14-7-9-16(23-2)10-8-14/h3-11H,12H2,1-2H3
InChIKeyDNPZCXZVYKWWNL-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.10
Rot. Bonds2

About 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one

3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one (PubChem CID 122380485) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one
PubChem CID122380485
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one
SMILESCOc1ccc(C2=CC(=O)CC23C(C)=Nc2ccccc23)cc1
InChIInChI=1S/C20H17NO2/c1-13-20(17-5-3-4-6-19(17)21-13)12-15(22)11-18(20)14-7-9-16(23-2)10-8-14/h3-11H,12H2,1-2H3
InChIKeyDNPZCXZVYKWWNL-UHFFFAOYSA-N
XLogP4.10
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylindol-3-yl)-4-methoxyphenol
CID 101145578
3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one
CID 122380476
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
(E)-1-(3,3-dimethylindol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 22887414
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
3-bromo-4-(4-methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 6425507
[2,4-bis(4-methoxyphenyl)-6,9,9-tris(trimethylsilyl)-1,3-diaza-5-silaspiro[4.4]nona-1,3-dien-6-yl]-trimethylsilane
CID 102584278
5-(4-methoxyphenyl)-2,3,3,7-tetramethylpyrrolo[2,3-b]pyridin-7-ium
CID 59035399
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-phenylbenzene cyanide
CID 159561637

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one (CID 122380485) is 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one is COc1ccc(C2=CC(=O)CC23C(C)=Nc2ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one?
The InChIKey is DNPZCXZVYKWWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-13-20(17-5-3-4-6-19(17)21-13)12-15(22)11-18(20)14-7-9-16(23-2)10-8-14/h3-11H,12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one?
3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one has a molecular weight of 303.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one is sourced from PubChem (CID 122380485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).