3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione

C14H13N3O3 — CID 154595724

IUPAC3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
SMILESC=C1c2c(N)cccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13N3O3/c1-7-12-8(3-2-4-9(12)15)14(20)17(7)10-5-6-11(18)16-13(10)19/h2-4,10H,1,5-6,15H2,(H,16,18,19)
InChIKeyLVIFHYRPEYXPTO-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.50
Rot. Bonds1

About 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione

3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione (PubChem CID 154595724) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
PubChem CID154595724
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
SMILESC=C1c2c(N)cccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13N3O3/c1-7-12-8(3-2-4-9(12)15)14(20)17(7)10-5-6-11(18)16-13(10)19/h2-4,10H,1,5-6,15H2,(H,16,18,19)
InChIKeyLVIFHYRPEYXPTO-UHFFFAOYSA-N
XLogP0.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
4-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4,7-diamino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4,7-dichloro-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159696058
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 158795821
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25135307
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
8-amino-2-(2,6-dioxopiperidin-3-yl)-4H-isoquinoline-1,3-dione
CID 172771986
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
CID 154689780

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione (CID 154595724) is 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione is C=C1c2c(N)cccc2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is LVIFHYRPEYXPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-7-12-8(3-2-4-9(12)15)14(20)17(7)10-5-6-11(18)16-13(10)19/h2-4,10H,1,5-6,15H2,(H,16,18,19).
What are the key properties of 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione?
3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 271.28 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 154595724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).