(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate

C9H13NO3 — CID 174287021

IUPAC(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate
SMILESCC(=O)ON1C(=O)CCC1=C(C)C
InChIInChI=1S/C9H13NO3/c1-6(2)8-4-5-9(12)10(8)13-7(3)11/h4-5H2,1-3H3
InChIKeyDWDDUNNENNWLNG-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.38
Rot. Bonds1

About (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate

(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate (PubChem CID 174287021) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate.

Molecular Properties

Compound Name(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate
PubChem CID174287021
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate
SMILESCC(=O)ON1C(=O)CCC1=C(C)C
InChIInChI=1S/C9H13NO3/c1-6(2)8-4-5-9(12)10(8)13-7(3)11/h4-5H2,1-3H3
InChIKeyDWDDUNNENNWLNG-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate
CID 170744757
1-azabicyclo[2.1.0]pent-3-ene-2,5-dione;(2,5-dioxopyrrolidin-1-yl) acetate
CID 87283400
(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
CID 122671324
(2,5-dihydroxypyrrol-1-yl) 3,4-dihydroxy-2-oxo-4-(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl)oxybutanoate
CID 136657996
N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine
CID 161410533
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 144871508
methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 158098437
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
2-chloro-3-methylbutane;(2,5-dioxopyrrolidin-1-yl) 2-methylpropanoate
CID 158531615
O-(2,5-dioxopyrrolidin-1-yl) 4-oxopentanethioate
CID 11977600

Frequently Asked Questions

What is the IUPAC name of (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate?
The IUPAC name of (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate (CID 174287021) is (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate.
What is the SMILES notation for (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate?
The canonical SMILES for (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate is CC(=O)ON1C(=O)CCC1=C(C)C.
What is the InChIKey of (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate?
The InChIKey is DWDDUNNENNWLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(2)8-4-5-9(12)10(8)13-7(3)11/h4-5H2,1-3H3.
What are the key properties of (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate?
(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate has a molecular weight of 183.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate is sourced from PubChem (CID 174287021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).