2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide

C9H18N2O2 — CID 62015297

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCCC1CO
InChIInChI=1S/C9H18N2O2/c1-7(9(13)10-2)11-5-3-4-8(11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13)
InChIKeyGNIZVUUMBGSYLJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds3

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 62015297) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
PubChem CID62015297
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCCC1CO
InChIInChI=1S/C9H18N2O2/c1-7(9(13)10-2)11-5-3-4-8(11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13)
InChIKeyGNIZVUUMBGSYLJ-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 79028212
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
CID 66260630
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 66261743
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62014138
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 62469409
(3R)-4-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-2-one
CID 54525823
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 61407625
2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 113321919
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62275284

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide (CID 62015297) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide is CNC(=O)C(C)N1CCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is GNIZVUUMBGSYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(13)10-2)11-5-3-4-8(11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 186.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 62015297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).