1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione

C10H15BrN2O3 — CID 167362911

IUPAC1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione
SMILESO=C(CCNCCBr)CN1C(=O)CCC1=O
InChIInChI=1S/C10H15BrN2O3/c11-4-6-12-5-3-8(14)7-13-9(15)1-2-10(13)16/h12H,1-7H2
InChIKeyDXOMWTCVZYRDRZ-UHFFFAOYSA-N
MW291.15 g/mol
LogP0.08
Rot. Bonds7

About 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione

1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione (PubChem CID 167362911) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione
PubChem CID167362911
Molecular FormulaC10H15BrN2O3
Molecular Weight291.15 g/mol
Exact Mass290.03
IUPAC Name1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione
SMILESO=C(CCNCCBr)CN1C(=O)CCC1=O
InChIInChI=1S/C10H15BrN2O3/c11-4-6-12-5-3-8(14)7-13-9(15)1-2-10(13)16/h12H,1-7H2
InChIKeyDXOMWTCVZYRDRZ-UHFFFAOYSA-N
XLogP0.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione
CID 89079228
6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate
CID 162785232
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane
CID 90799203
ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione
CID 145339436
methyl (E)-4-(2,5-dioxopyrrolidin-1-yl)-3-methoxybut-2-enoate
CID 5355109
6-(2,5-dioxopyrrolidin-1-yl)-2-(hexadecanoylamino)-5-oxohexanoic acid
CID 170653244
6-(2,5-dioxopyrrolidin-1-yl)-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]hexanoic acid
CID 171725878
6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate
CID 158842922
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
3-(2-bromoethylamino)-1-(4,5-dihydro-1H-imidazol-2-yl)propan-1-one
CID 19091402
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[5-(2-methylidene-5-oxopyrrolidin-1-yl)-4-oxopentanoyl]oxyethyl] butanedioate
CID 118359817

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione (CID 167362911) is 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione is O=C(CCNCCBr)CN1C(=O)CCC1=O.
What is the InChIKey of 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione?
The InChIKey is DXOMWTCVZYRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c11-4-6-12-5-3-8(14)7-13-9(15)1-2-10(13)16/h12H,1-7H2.
What are the key properties of 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione?
1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione has a molecular weight of 291.15 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 167362911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).