3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one

C18H13NO — CID 122380476

IUPAC3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one
SMILESO=C1C=C(c2ccccc2)C2(C=Nc3ccccc32)C1
InChIInChI=1S/C18H13NO/c20-14-10-16(13-6-2-1-3-7-13)18(11-14)12-19-17-9-5-4-8-15(17)18/h1-10,12H,11H2
InChIKeyHSEOXXQEZBCTOB-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.70
Rot. Bonds1

About 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one

3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one (PubChem CID 122380476) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one.

Molecular Properties

Compound Name3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one
PubChem CID122380476
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one
SMILESO=C1C=C(c2ccccc2)C2(C=Nc3ccccc32)C1
InChIInChI=1S/C18H13NO/c20-14-10-16(13-6-2-1-3-7-13)18(11-14)12-19-17-9-5-4-8-15(17)18/h1-10,12H,11H2
InChIKeyHSEOXXQEZBCTOB-UHFFFAOYSA-N
XLogP3.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-4-methyl-3-phenylcyclopent-2-en-1-one
CID 143515003
3-(4-methoxyphenyl)-2'-methylspiro[cyclopent-2-ene-4,3'-indole]-1-one
CID 122380485
(4S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyspiro[cyclopent-2-ene-4,3'-indole]-1-one
CID 139183312
spiro[aziridine-2,3'-indole]
CID 173099784
(3-methylindol-3-yl) formate
CID 164787795
3-iodo-3-phenylindole
CID 175211436
3-bromoindol-3-ol
CID 68520694
3,3-difluoroindole;hydrochloride
CID 172824632
5'-phenylspiro[1,3-dioxolane-2,3'-indole]
CID 151550167
spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 90702501
2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone
CID 14048773
(3-hydroxyindol-3-yl) hydrogen sulfate
CID 174968996

Frequently Asked Questions

What is the IUPAC name of 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one?
The IUPAC name of 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one (CID 122380476) is 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one.
What is the SMILES notation for 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one?
The canonical SMILES for 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one is O=C1C=C(c2ccccc2)C2(C=Nc3ccccc32)C1.
What is the InChIKey of 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one?
The InChIKey is HSEOXXQEZBCTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c20-14-10-16(13-6-2-1-3-7-13)18(11-14)12-19-17-9-5-4-8-15(17)18/h1-10,12H,11H2.
What are the key properties of 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one?
3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one has a molecular weight of 259.31 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one is sourced from PubChem (CID 122380476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).