(3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one

C24H21NO3 — CID 1162506

IUPAC(3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)[C@](O)(CC(=O)c2ccc3c4c(cccc24)CC3)c2ccccc21
InChIInChI=1S/C24H21NO3/c1-2-25-20-9-4-3-8-19(20)24(28,23(25)27)14-21(26)17-13-12-16-11-10-15-6-5-7-18(17)22(15)16/h3-9,12-13,28H,2,10-11,14H2,1H3/t24-/m0/s1
InChIKeyCPPUNKZPKYKRLM-DEOSSOPVSA-N
MW371.44 g/mol
LogP3.77
Rot. Bonds4

About (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one

(3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one (PubChem CID 1162506) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
PubChem CID1162506
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)[C@](O)(CC(=O)c2ccc3c4c(cccc24)CC3)c2ccccc21
InChIInChI=1S/C24H21NO3/c1-2-25-20-9-4-3-8-19(20)24(28,23(25)27)14-21(26)17-13-12-16-11-10-15-6-5-7-18(17)22(15)16/h3-9,12-13,28H,2,10-11,14H2,1H3/t24-/m0/s1
InChIKeyCPPUNKZPKYKRLM-DEOSSOPVSA-N
XLogP3.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one with MolForge

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Related Compounds

1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
CID 2908702
(3R)-1-ethyl-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 1425708
3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-prop-2-ynylindol-2-one
CID 2916006
(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-prop-2-ynylindol-2-one
CID 1321563
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 1162510
(3S)-1-ethyl-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 1322722
(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330472
1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 4271426
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330473
1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 138963365
3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3759443
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The IUPAC name of (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one (CID 1162506) is (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one.
What is the SMILES notation for (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The canonical SMILES for (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one is CCN1C(=O)[C@](O)(CC(=O)c2ccc3c4c(cccc24)CC3)c2ccccc21.
What is the InChIKey of (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The InChIKey is CPPUNKZPKYKRLM-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21NO3/c1-2-25-20-9-4-3-8-19(20)24(28,23(25)27)14-21(26)17-13-12-16-11-10-15-6-5-7-18(17)22(15)16/h3-9,12-13,28H,2,10-11,14H2,1H3/t24-/m0/s1.
What are the key properties of (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
(3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one has a molecular weight of 371.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one is sourced from PubChem (CID 1162506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).