ethane;3-methylpyrrolidine-2,5-dione;propane

C10H21NO2 — CID 145077035

IUPACethane;3-methylpyrrolidine-2,5-dione;propane
SMILESCC.CC1CC(=O)NC1=O.CCC
InChIInChI=1S/C5H7NO2.C3H8.C2H6/c1-3-2-4(7)6-5(3)8;1-3-2;1-2/h3H,2H2,1H3,(H,6,7,8);3H2,1-2H3;1-2H3
InChIKeyQRHIYKPQJOOVJH-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.11
Rot. Bonds

About ethane;3-methylpyrrolidine-2,5-dione;propane

ethane;3-methylpyrrolidine-2,5-dione;propane (PubChem CID 145077035) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;3-methylpyrrolidine-2,5-dione;propane.

Molecular Properties

Compound Nameethane;3-methylpyrrolidine-2,5-dione;propane
PubChem CID145077035
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;3-methylpyrrolidine-2,5-dione;propane
SMILESCC.CC1CC(=O)NC1=O.CCC
InChIInChI=1S/C5H7NO2.C3H8.C2H6/c1-3-2-4(7)6-5(3)8;1-3-2;1-2/h3H,2H2,1H3,(H,6,7,8);3H2,1-2H3;1-2H3
InChIKeyQRHIYKPQJOOVJH-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;propane;3-sulfanylpyrrolidine-2,5-dione
CID 144975396
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione
CID 130834825
3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione
CID 143529364
3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 118047902
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166040
(2,5-dioxopyrrolidin-3-yl) ethanesulfonate
CID 87067948
3-methylazonane-2,9-dione
CID 175922762
3-methyl-4-methylsulfanylpiperidine-2,6-dione
CID 169307498
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
(3R)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130632888

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylpyrrolidine-2,5-dione;propane?
The IUPAC name of ethane;3-methylpyrrolidine-2,5-dione;propane (CID 145077035) is ethane;3-methylpyrrolidine-2,5-dione;propane.
What is the SMILES notation for ethane;3-methylpyrrolidine-2,5-dione;propane?
The canonical SMILES for ethane;3-methylpyrrolidine-2,5-dione;propane is CC.CC1CC(=O)NC1=O.CCC.
What is the InChIKey of ethane;3-methylpyrrolidine-2,5-dione;propane?
The InChIKey is QRHIYKPQJOOVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C3H8.C2H6/c1-3-2-4(7)6-5(3)8;1-3-2;1-2/h3H,2H2,1H3,(H,6,7,8);3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methylpyrrolidine-2,5-dione;propane?
ethane;3-methylpyrrolidine-2,5-dione;propane has a molecular weight of 187.28 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylpyrrolidine-2,5-dione;propane is sourced from PubChem (CID 145077035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).