1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea

C11H19N3O3 — CID 100744528

IUPAC1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea
SMILESCCCN(C(=O)N(C)C)[C@H]1CC(=O)N(C)C1=O
InChIInChI=1S/C11H19N3O3/c1-5-6-14(11(17)12(2)3)8-7-9(15)13(4)10(8)16/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyGYVSSUGHKRGDNF-QMMMGPOBSA-N
MW241.29 g/mol
LogP0.14
Rot. Bonds3

About 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea

1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea (PubChem CID 100744528) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea
PubChem CID100744528
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea
SMILESCCCN(C(=O)N(C)C)[C@H]1CC(=O)N(C)C1=O
InChIInChI=1S/C11H19N3O3/c1-5-6-14(11(17)12(2)3)8-7-9(15)13(4)10(8)16/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyGYVSSUGHKRGDNF-QMMMGPOBSA-N
XLogP0.14
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.14
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

(2S)-2-methyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-methylsulfanyl-N-propylpropanamide
CID 124732259
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-(1-methyltetrazol-5-yl)sulfanyl-N-propylpropanamide
CID 119040477
3-[ethyl(2-hydroxyethyl)amino]-1-methylpyrrolidine-2,5-dione
CID 107358231
3-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)-propylamino]methyl]benzoic acid
CID 122033997
1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione
CID 166289563
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)-prop-2-ynylamino]acetic acid
CID 79283874
1-methyl-3-(2-oxopropyl)pyrrolidine-2,5-dione
CID 156748607
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione
CID 107358074
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid
CID 61008700
silver 1-methyl-2,5-dioxopyrrolidine-3-thiolate
CID 177217221
1-methyl-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119824892
N-butyl-N-[1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-2-octylcyclohexyl]octyl]-2,5-dioxopyrrolidin-3-yl]acetamide
CID 58319804

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea?
The IUPAC name of 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea (CID 100744528) is 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea.
What is the SMILES notation for 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea?
The canonical SMILES for 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea is CCCN(C(=O)N(C)C)[C@H]1CC(=O)N(C)C1=O.
What is the InChIKey of 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea?
The InChIKey is GYVSSUGHKRGDNF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-6-14(11(17)12(2)3)8-7-9(15)13(4)10(8)16/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea?
1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea has a molecular weight of 241.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]-3-propylurea is sourced from PubChem (CID 100744528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).