(2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide

C14H14N2O3 — CID 101103152

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide
SMILESC=CC[C@@](C)(C(N)=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H14N2O3/c1-3-8-14(2,13(15)19)16-11(17)9-6-4-5-7-10(9)12(16)18/h3-7H,1,8H2,2H3,(H2,15,19)/t14-/m0/s1
InChIKeyFLSSLLSKRSWDDL-AWEZNQCLSA-N
MW258.28 g/mol
LogP1.10
Rot. Bonds4

About (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide (PubChem CID 101103152) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide
PubChem CID101103152
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide
SMILESC=CC[C@@](C)(C(N)=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H14N2O3/c1-3-8-14(2,13(15)19)16-11(17)9-6-4-5-7-10(9)12(16)18/h3-7H,1,8H2,2H3,(H2,15,19)/t14-/m0/s1
InChIKeyFLSSLLSKRSWDDL-AWEZNQCLSA-N
XLogP1.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 57007568
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
CID 59102632
2-ethenylisoindole-1,3-dione;prop-2-en-1-amine
CID 21271999
3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
CID 65266462
(2R)-2-amino-2-benzylpent-4-enamide
CID 135080853
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
CID 102370956
2-ethenylisoindole-1,3-dione
CID 175832384
2-(4-methylheptan-4-yl)isoindole-1,3-dione
CID 163719982
2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
CID 105059304
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)but-3-enoate
CID 11096858
2-(4-amino-1,3-dioxoisoindol-2-yl)-2-methylpentanedioic acid
CID 70209549

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide (CID 101103152) is (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide is C=CC[C@@](C)(C(N)=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide?
The InChIKey is FLSSLLSKRSWDDL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-8-14(2,13(15)19)16-11(17)9-6-4-5-7-10(9)12(16)18/h3-7H,1,8H2,2H3,(H2,15,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide has a molecular weight of 258.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide is sourced from PubChem (CID 101103152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).