ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione

C19H28N2O3 — CID 156711933

IUPACethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione
SMILESCC.CC(C)c1ccc2c(c1)CN(C)C2=O.O=C1CCCC(=O)N1
InChIInChI=1S/C12H15NO.C5H7NO2.C2H6/c1-8(2)9-4-5-11-10(6-9)7-13(3)12(11)14;7-4-2-1-3-5(8)6-4;1-2/h4-6,8H,7H2,1-3H3;1-3H2,(H,6,7,8);1-2H3
InChIKeyNKLPDAVLZYNJFM-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.23
Rot. Bonds1

About ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione

ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione (PubChem CID 156711933) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione
PubChem CID156711933
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione
SMILESCC.CC(C)c1ccc2c(c1)CN(C)C2=O.O=C1CCCC(=O)N1
InChIInChI=1S/C12H15NO.C5H7NO2.C2H6/c1-8(2)9-4-5-11-10(6-9)7-13(3)12(11)14;7-4-2-1-3-5(8)6-4;1-2/h4-6,8H,7H2,1-3H3;1-3H2,(H,6,7,8);1-2H3
InChIKeyNKLPDAVLZYNJFM-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one
CID 165015366
ethane;2-methyl-6-propan-2-yl-3H-isoindol-1-one
CID 164902233
2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one
CID 84721920
3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione
CID 137368671
2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
CID 171660016
2,6-dimethyl-5-propan-2-yl-3H-isoindol-1-one
CID 163943326
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
1-(2-methyl-3-oxo-1H-isoindol-5-yl)-1,3-diazinane-2,4-dione
CID 163231144
5-(1,4-diazepan-1-yl)-2-methyl-3H-isoindol-1-one
CID 69363809
5,6-bis(bromomethyl)-2-methyl-3H-isoindol-1-one
CID 138981438

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione?
The IUPAC name of ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione (CID 156711933) is ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione.
What is the SMILES notation for ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione?
The canonical SMILES for ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione is CC.CC(C)c1ccc2c(c1)CN(C)C2=O.O=C1CCCC(=O)N1.
What is the InChIKey of ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione?
The InChIKey is NKLPDAVLZYNJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C5H7NO2.C2H6/c1-8(2)9-4-5-11-10(6-9)7-13(3)12(11)14;7-4-2-1-3-5(8)6-4;1-2/h4-6,8H,7H2,1-3H3;1-3H2,(H,6,7,8);1-2H3.
What are the key properties of ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione?
ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione has a molecular weight of 332.44 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione is sourced from PubChem (CID 156711933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).