3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide

C10H20N2O2 — CID 102788879

IUPAC3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide
SMILESCC(CN1CCC(C)C1CO)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-7-3-4-12(9(7)6-13)5-8(2)10(11)14/h7-9,13H,3-6H2,1-2H3,(H2,11,14)
InChIKeyIZMZHJMCFPAFQY-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.19
Rot. Bonds4

About 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide

3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide (PubChem CID 102788879) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide
PubChem CID102788879
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide
SMILESCC(CN1CCC(C)C1CO)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-7-3-4-12(9(7)6-13)5-8(2)10(11)14/h7-9,13H,3-6H2,1-2H3,(H2,11,14)
InChIKeyIZMZHJMCFPAFQY-UHFFFAOYSA-N
XLogP-0.19
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-diethoxyethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102782497
3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-2-methylpropanamide
CID 130993208
2-ethyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]but-2-enoic acid
CID 102782032
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 102784278
[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 102785839
2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102785992
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 102789651
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine
CID 102784417
2-bromo-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 102778404

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide (CID 102788879) is 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide is CC(CN1CCC(C)C1CO)C(N)=O.
What is the InChIKey of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide?
The InChIKey is IZMZHJMCFPAFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-3-4-12(9(7)6-13)5-8(2)10(11)14/h7-9,13H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide?
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide has a molecular weight of 200.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 102788879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).