1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione

C10H11NO3 — CID 16762249

IUPAC1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CN2C(=O)CCC2=O)o1
InChIInChI=1S/C10H11NO3/c1-7-2-3-8(14-7)6-11-9(12)4-5-10(11)13/h2-3H,4-6H2,1H3
InChIKeyQFWMVZTVAUAIQZ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.24
Rot. Bonds2

About 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione

1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 16762249) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID16762249
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CN2C(=O)CCC2=O)o1
InChIInChI=1S/C10H11NO3/c1-7-2-3-8(14-7)6-11-9(12)4-5-10(11)13/h2-3H,4-6H2,1H3
InChIKeyQFWMVZTVAUAIQZ-UHFFFAOYSA-N
XLogP1.24
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600468
1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102710960
1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one
CID 116624684
1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one
CID 116624149
3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969258
1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 113372256
1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714573
(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739460
(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373223
5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 77073100
(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 95739154
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione (CID 16762249) is 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione is Cc1ccc(CN2C(=O)CCC2=O)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is QFWMVZTVAUAIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7-2-3-8(14-7)6-11-9(12)4-5-10(11)13/h2-3H,4-6H2,1H3.
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione?
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 193.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 16762249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).