ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate

C10H15NO3 — CID 170744757

IUPACethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate
SMILESC=C=C1CCC(=O)N1OC(C)=O.CC
InChIInChI=1S/C8H9NO3.C2H6/c1-3-7-4-5-8(11)9(7)12-6(2)10;1-2/h1,4-5H2,2H3;1-2H3
InChIKeyPTJFXBKWWHGWKH-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.78
Rot. Bonds1

About ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate

ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate (PubChem CID 170744757) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate.

Molecular Properties

Compound Nameethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate
PubChem CID170744757
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate
SMILESC=C=C1CCC(=O)N1OC(C)=O.CC
InChIInChI=1S/C8H9NO3.C2H6/c1-3-7-4-5-8(11)9(7)12-6(2)10;1-2/h1,4-5H2,2H3;1-2H3
InChIKeyPTJFXBKWWHGWKH-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate
CID 174287021
1-azabicyclo[2.1.0]pent-3-ene-2,5-dione;(2,5-dioxopyrrolidin-1-yl) acetate
CID 87283400
ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 144871508
(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
CID 122671324
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine
CID 161410533
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
acetic acid;methane;(2-methylidene-5-oxopyrrolidin-1-yl) acetate;methylimino(oxo)methane;methylimino(sulfanylidene)methane;(2,3,5,6-tetrafluoro-4-methylphenyl) acetate
CID 157240645
[(2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) acetate;ethane
CID 163961436

Frequently Asked Questions

What is the IUPAC name of ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate?
The IUPAC name of ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate (CID 170744757) is ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate.
What is the SMILES notation for ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate?
The canonical SMILES for ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate is C=C=C1CCC(=O)N1OC(C)=O.CC.
What is the InChIKey of ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate?
The InChIKey is PTJFXBKWWHGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C2H6/c1-3-7-4-5-8(11)9(7)12-6(2)10;1-2/h1,4-5H2,2H3;1-2H3.
What are the key properties of ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate?
ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate has a molecular weight of 197.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate is sourced from PubChem (CID 170744757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).