3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea

C10H21N3O2 — CID 159990566

IUPAC3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea
SMILESCC1CCNC1=O.CN(C)C(=O)N(C)C
InChIInChI=1S/C5H12N2O.C5H9NO/c1-6(2)5(8)7(3)4;1-4-2-3-6-5(4)7/h1-4H3;4H,2-3H2,1H3,(H,6,7)
InChIKeyOGWXMSMMYFSRQT-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.37
Rot. Bonds

About 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea

3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea (PubChem CID 159990566) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea.

Molecular Properties

Compound Name3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea
PubChem CID159990566
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea
SMILESCC1CCNC1=O.CN(C)C(=O)N(C)C
InChIInChI=1S/C5H12N2O.C5H9NO/c1-6(2)5(8)7(3)4;1-4-2-3-6-5(4)7/h1-4H3;4H,2-3H2,1H3,(H,6,7)
InChIKeyOGWXMSMMYFSRQT-UHFFFAOYSA-N
XLogP0.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea?
The IUPAC name of 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea (CID 159990566) is 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea.
What is the SMILES notation for 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea?
The canonical SMILES for 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea is CC1CCNC1=O.CN(C)C(=O)N(C)C.
What is the InChIKey of 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea?
The InChIKey is OGWXMSMMYFSRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C5H9NO/c1-6(2)5(8)7(3)4;1-4-2-3-6-5(4)7/h1-4H3;4H,2-3H2,1H3,(H,6,7).
What are the key properties of 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea?
3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea has a molecular weight of 215.30 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea is sourced from PubChem (CID 159990566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).