1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one

C16H32N4O3 — CID 174871211

IUPAC1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one
SMILESCC.CN1CCCC1=O.CN1CCN(C)C1=O.O=C1CCCN1
InChIInChI=1S/C5H10N2O.C5H9NO.C4H7NO.C2H6/c1-6-3-4-7(2)5(6)8;1-6-4-2-3-5(6)7;6-4-2-1-3-5-4;1-2/h3-4H2,1-2H3;2-4H2,1H3;1-3H2,(H,5,6);1-2H3
InChIKeySQKUXUKNMXVRTI-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.14
Rot. Bonds

About 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one

1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one (PubChem CID 174871211) has the molecular formula C16H32N4O3 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one.

Molecular Properties

Compound Name1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one
PubChem CID174871211
Molecular FormulaC16H32N4O3
Molecular Weight328.46 g/mol
Exact Mass328.25
IUPAC Name1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one
SMILESCC.CN1CCCC1=O.CN1CCN(C)C1=O.O=C1CCCN1
InChIInChI=1S/C5H10N2O.C5H9NO.C4H7NO.C2H6/c1-6-3-4-7(2)5(6)8;1-6-4-2-3-5(6)7;6-4-2-1-3-5-4;1-2/h3-4H2,1-2H3;2-4H2,1H3;1-3H2,(H,5,6);1-2H3
InChIKeySQKUXUKNMXVRTI-UHFFFAOYSA-N
XLogP1.14
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one?
The IUPAC name of 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one (CID 174871211) is 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one.
What is the SMILES notation for 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one?
The canonical SMILES for 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one is CC.CN1CCCC1=O.CN1CCN(C)C1=O.O=C1CCCN1.
What is the InChIKey of 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one?
The InChIKey is SQKUXUKNMXVRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C5H9NO.C4H7NO.C2H6/c1-6-3-4-7(2)5(6)8;1-6-4-2-3-5(6)7;6-4-2-1-3-5-4;1-2/h3-4H2,1-2H3;2-4H2,1H3;1-3H2,(H,5,6);1-2H3.
What are the key properties of 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one?
1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one has a molecular weight of 328.46 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one is sourced from PubChem (CID 174871211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).