ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione

C17H24N2O3 — CID 163393658

IUPACethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
SMILESCC.CCc1cccc2c1C(=O)NC2.O=C1CCCC(=O)N1
InChIInChI=1S/C10H11NO.C5H7NO2.C2H6/c1-2-7-4-3-5-8-6-11-10(12)9(7)8;7-4-2-1-3-5(8)6-4;1-2/h3-5H,2,6H2,1H3,(H,11,12);1-3H2,(H,6,7,8);1-2H3
InChIKeyBYPSMQQXYPZVIO-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.33
Rot. Bonds1

About ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione

ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione (PubChem CID 163393658) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
PubChem CID163393658
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
SMILESCC.CCc1cccc2c1C(=O)NC2.O=C1CCCC(=O)N1
InChIInChI=1S/C10H11NO.C5H7NO2.C2H6/c1-2-7-4-3-5-8-6-11-10(12)9(7)8;7-4-2-1-3-5(8)6-4;1-2/h3-5H,2,6H2,1H3,(H,11,12);1-3H2,(H,6,7,8);1-2H3
InChIKeyBYPSMQQXYPZVIO-UHFFFAOYSA-N
XLogP2.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
CID 156794766
2-(3-oxo-1,2-dihydroisoindol-4-yl)acetic acid
CID 84719621
ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283
methanamine;2,4,5,6-tetrahydro-1H-2-benzazocin-3-one
CID 143489606
piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one
CID 156794502
azepane-2,7-dione;ethane
CID 145404800
4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 169181422
8-ethyl-3,4-dihydroisochromen-1-one
CID 20872222
1,2-dibromoethane;piperidine-2,6-dione
CID 160540875
1-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 145111683
sodium piperidine-2,6-dione
CID 22619648
7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one
CID 16666857

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?
The IUPAC name of ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione (CID 163393658) is ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione.
What is the SMILES notation for ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?
The canonical SMILES for ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione is CC.CCc1cccc2c1C(=O)NC2.O=C1CCCC(=O)N1.
What is the InChIKey of ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?
The InChIKey is BYPSMQQXYPZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C5H7NO2.C2H6/c1-2-7-4-3-5-8-6-11-10(12)9(7)8;7-4-2-1-3-5(8)6-4;1-2/h3-5H,2,6H2,1H3,(H,11,12);1-3H2,(H,6,7,8);1-2H3.
What are the key properties of ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione?
ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione has a molecular weight of 304.39 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione is sourced from PubChem (CID 163393658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).