ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one

C33H68N6O2 — CID 159931376

IUPACethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESCC.CC.CC(C)N1CCC(N2CCCC2=O)C1.CC(C)N1CCC(N2CCN(C)C2=O)C1.CC(C)N1CCCC1
InChIInChI=1S/C11H21N3O.C11H20N2O.C7H15N.2C2H6/c1-9(2)13-5-4-10(8-13)14-7-6-12(3)11(14)15;1-9(2)12-7-5-10(8-12)13-6-3-4-11(13)14;1-7(2)8-5-3-4-6-8;2*1-2/h9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;7H,3-6H2,1-2H3;2*1-2H3
InChIKeyNZRJJAAVBCYHPN-UHFFFAOYSA-N
MW580.95 g/mol
LogP5.47
Rot. Bonds5

About ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one

ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one (PubChem CID 159931376) has the molecular formula C33H68N6O2 and a molecular weight of 580.95 g/mol. Its IUPAC name is ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
PubChem CID159931376
Molecular FormulaC33H68N6O2
Molecular Weight580.95 g/mol
Exact Mass580.54
IUPAC Nameethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESCC.CC.CC(C)N1CCC(N2CCCC2=O)C1.CC(C)N1CCC(N2CCN(C)C2=O)C1.CC(C)N1CCCC1
InChIInChI=1S/C11H21N3O.C11H20N2O.C7H15N.2C2H6/c1-9(2)13-5-4-10(8-13)14-7-6-12(3)11(14)15;1-9(2)12-7-5-10(8-12)13-6-3-4-11(13)14;1-7(2)8-5-3-4-6-8;2*1-2/h9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;7H,3-6H2,1-2H3;2*1-2H3
InChIKeyNZRJJAAVBCYHPN-UHFFFAOYSA-N
XLogP5.47
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.95
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 156829951
2-methyl-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 146394625
4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 158127620
(9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 146394692
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-(4-acetylcyclohexyl)piperidin-2-one
CID 58664390
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
methane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one
CID 161431067
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one?
The IUPAC name of ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one (CID 159931376) is ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one is CC.CC.CC(C)N1CCC(N2CCCC2=O)C1.CC(C)N1CCC(N2CCN(C)C2=O)C1.CC(C)N1CCCC1.
What is the InChIKey of ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one?
The InChIKey is NZRJJAAVBCYHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C11H20N2O.C7H15N.2C2H6/c1-9(2)13-5-4-10(8-13)14-7-6-12(3)11(14)15;1-9(2)12-7-5-10(8-12)13-6-3-4-11(13)14;1-7(2)8-5-3-4-6-8;2*1-2/h9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;7H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one?
ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one has a molecular weight of 580.95 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)imidazolidin-2-one;1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 159931376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).