ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione

C20H32N2O3 — CID 176987678

IUPACethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
SMILESC/C=C\C1=C(CC)C2(CC2)C(=O)N1C1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C16H20N2O3.2C2H6/c1-3-5-11-10(4-2)16(8-9-16)15(21)18(11)12-6-7-13(19)17-14(12)20;2*1-2/h3,5,12H,4,6-9H2,1-2H3,(H,17,19,20);2*1-2H3/b5-3-;;
InChIKeyVBMOLBXFPWRSNI-ORIPCLHRSA-N
MW348.49 g/mol
LogP3.71
Rot. Bonds3

About ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione

ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione (PubChem CID 176987678) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
PubChem CID176987678
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nameethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
SMILESC/C=C\C1=C(CC)C2(CC2)C(=O)N1C1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C16H20N2O3.2C2H6/c1-3-5-11-10(4-2)16(8-9-16)15(21)18(11)12-6-7-13(19)17-14(12)20;2*1-2/h3,5,12H,4,6-9H2,1-2H3,(H,17,19,20);2*1-2H3/b5-3-;;
InChIKeyVBMOLBXFPWRSNI-ORIPCLHRSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.71
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

3-[6-methyl-5-[(Z)-prop-1-enyl]-4-azaspiro[2.4]hept-5-en-4-yl]piperidine-2,6-dione
CID 176988235
3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 167471509
3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 171627610
3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 170009867
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
3-[7-[(E)-1-[3-(azetidin-1-yl)azetidin-1-yl]prop-1-enyl]-6-ethenyl-4-oxo-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
CID 178005269
CID 178005333
CID 178005333
3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156712076
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618
3-(3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 123483431
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620

Frequently Asked Questions

What is the IUPAC name of ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione (CID 176987678) is ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione is C/C=C\C1=C(CC)C2(CC2)C(=O)N1C1CCC(=O)NC1=O.CC.CC.
What is the InChIKey of ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione?
The InChIKey is VBMOLBXFPWRSNI-ORIPCLHRSA-N. The full InChI is InChI=1S/C16H20N2O3.2C2H6/c1-3-5-11-10(4-2)16(8-9-16)15(21)18(11)12-6-7-13(19)17-14(12)20;2*1-2/h3,5,12H,4,6-9H2,1-2H3,(H,17,19,20);2*1-2H3/b5-3-;;.
What are the key properties of ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione?
ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione has a molecular weight of 348.49 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 176987678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).