4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane

C44H47N9O8 — CID 157370430

IUPAC4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane
SMILESC.C=C1CCC(C)(N2C(=O)c3cccc(N)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(N)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(N)cccc3C2=O)C(=O)N1
InChIInChI=1S/C15H15N3O3.C14H13N3O3.C14H15N3O2.CH4/c1-8-6-7-15(2,14(21)17-8)18-12(19)9-4-3-5-10(16)11(9)13(18)20;1-7-5-6-10(12(18)16-7)17-13(19)8-3-2-4-9(15)11(8)14(17)20;1-8-5-6-12(13(18)16-8)17-7-10-9(14(17)19)3-2-4-11(10)15;/h3-5H,1,6-7,16H2,2H3,(H,17,21);2-4,10H,1,5-6,15H2,(H,16,18);2-4,12H,1,5-7,15H2,(H,16,18);1H4
InChIKeyBJRSMACQZWTKIY-UHFFFAOYSA-N
MW829.92 g/mol
LogP3.36
Rot. Bonds3

About 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane

4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane (PubChem CID 157370430) has the molecular formula C44H47N9O8 and a molecular weight of 829.92 g/mol. Its IUPAC name is 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane.

Molecular Properties

Compound Name4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane
PubChem CID157370430
Molecular FormulaC44H47N9O8
Molecular Weight829.92 g/mol
Exact Mass829.35
IUPAC Name4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane
SMILESC.C=C1CCC(C)(N2C(=O)c3cccc(N)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(N)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(N)cccc3C2=O)C(=O)N1
InChIInChI=1S/C15H15N3O3.C14H13N3O3.C14H15N3O2.CH4/c1-8-6-7-15(2,14(21)17-8)18-12(19)9-4-3-5-10(16)11(9)13(18)20;1-7-5-6-10(12(18)16-7)17-13(19)8-3-2-4-9(15)11(8)14(17)20;1-8-5-6-12(13(18)16-8)17-7-10-9(14(17)19)3-2-4-11(10)15;/h3-5H,1,6-7,16H2,2H3,(H,17,21);2-4,10H,1,5-6,15H2,(H,16,18);2-4,12H,1,5-7,15H2,(H,16,18);1H4
InChIKeyBJRSMACQZWTKIY-UHFFFAOYSA-N
XLogP3.36
TPSA260.43 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500829.92
LogP ≤ 53.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane with MolForge

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Related Compounds

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
4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
CID 165070721
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
4-amino-2-(3-deuterio-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 58525684
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;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724
4-(azetidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 177002953
2-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-4-nitroisoindole-1,3-dione
CID 58708265
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane?
The IUPAC name of 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane (CID 157370430) is 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane.
What is the SMILES notation for 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane?
The canonical SMILES for 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane is C.C=C1CCC(C)(N2C(=O)c3cccc(N)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(N)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(N)cccc3C2=O)C(=O)N1.
What is the InChIKey of 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane?
The InChIKey is BJRSMACQZWTKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3.C14H13N3O3.C14H15N3O2.CH4/c1-8-6-7-15(2,14(21)17-8)18-12(19)9-4-3-5-10(16)11(9)13(18)20;1-7-5-6-10(12(18)16-7)17-13(19)8-3-2-4-9(15)11(8)14(17)20;1-8-5-6-12(13(18)16-8)17-7-10-9(14(17)19)3-2-4-11(10)15;/h3-5H,1,6-7,16H2,2H3,(H,17,21);2-4,10H,1,5-6,15H2,(H,16,18);2-4,12H,1,5-7,15H2,(H,16,18);1H4.
What are the key properties of 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane?
4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane has a molecular weight of 829.92 g/mol, XLogP of 3.36, 3 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane is sourced from PubChem (CID 157370430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).