6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

C16H18N2O2 — CID 167146482

IUPAC6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3ccc(CC)cc3C2=O)C(=O)N1
InChIInChI=1S/C16H18N2O2/c1-3-11-5-6-12-9-18(16(20)13(12)8-11)14-7-4-10(2)17-15(14)19/h5-6,8,14H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyPRMRYNJUIAOIQE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.00
Rot. Bonds2

About 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (PubChem CID 167146482) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
PubChem CID167146482
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3ccc(CC)cc3C2=O)C(=O)N1
InChIInChI=1S/C16H18N2O2/c1-3-11-5-6-12-9-18(16(20)13(12)8-11)14-7-4-10(2)17-15(14)19/h5-6,8,14H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyPRMRYNJUIAOIQE-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
2-(6-methylidene-2-oxopiperidin-3-yl)-6-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-3H-isoindol-1-one
CID 167644769
2-(6-methylidene-2-oxopiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-3H-isoindol-1-one
CID 167644766
5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 165102713
5-tert-butyl-6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 157204603
5-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 156729357
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylphenyl)-3-oxobutyl]-3H-isoindol-1-one
CID 157340560
2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
CID 159442512
3-[5-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729954
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (CID 167146482) is 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is C=C1CCC(N2Cc3ccc(CC)cc3C2=O)C(=O)N1.
What is the InChIKey of 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The InChIKey is PRMRYNJUIAOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-11-5-6-12-9-18(16(20)13(12)8-11)14-7-4-10(2)17-15(14)19/h5-6,8,14H,2-4,7,9H2,1H3,(H,17,19).
What are the key properties of 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one has a molecular weight of 270.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 167146482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).