4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione

C10H15NO2 — CID 150340291

IUPAC4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione
SMILESCC(C)=CC(=O)C(=O)N1CCCC1
InChIInChI=1S/C10H15NO2/c1-8(2)7-9(12)10(13)11-5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyGROJTQLLYNMNGK-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.14
Rot. Bonds2

About 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione

4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione (PubChem CID 150340291) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione.

Molecular Properties

Compound Name4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione
PubChem CID150340291
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione
SMILESCC(C)=CC(=O)C(=O)N1CCCC1
InChIInChI=1S/C10H15NO2/c1-8(2)7-9(12)10(13)11-5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyGROJTQLLYNMNGK-UHFFFAOYSA-N
XLogP1.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-iodo-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 173171873
3-pyrrolidin-1-ylbut-2-enoic acid
CID 54339396
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
3-methyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 71318871
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-pyrrolidin-1-ylpentane-1,2,4-trione
CID 86731962
(Z)-4-(azocan-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55168115
2-hydroxyimino-1-piperidin-1-ylpropan-1-one
CID 71404866
2-oxo-N,N-bis(prop-2-enyl)-2-pyrrolidin-1-ylacetamide
CID 108516735
1-(azetidin-1-yl)ethanone
CID 14061673
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide
CID 102603683

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione?
The IUPAC name of 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione (CID 150340291) is 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione.
What is the SMILES notation for 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione?
The canonical SMILES for 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione is CC(C)=CC(=O)C(=O)N1CCCC1.
What is the InChIKey of 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione?
The InChIKey is GROJTQLLYNMNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)7-9(12)10(13)11-5-3-4-6-11/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione?
4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione has a molecular weight of 181.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione is sourced from PubChem (CID 150340291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).