1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one

C9H16N2O2 — CID 126986122

IUPAC1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one
SMILESCN(CN1CC(O)CC1=O)C1CC1
InChIInChI=1S/C9H16N2O2/c1-10(7-2-3-7)6-11-5-8(12)4-9(11)13/h7-8,12H,2-6H2,1H3
InChIKeyYQZKXLOGDNQHBA-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.37
Rot. Bonds3

About 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one

1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one (PubChem CID 126986122) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one
PubChem CID126986122
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one
SMILESCN(CN1CC(O)CC1=O)C1CC1
InChIInChI=1S/C9H16N2O2/c1-10(7-2-3-7)6-11-5-8(12)4-9(11)13/h7-8,12H,2-6H2,1H3
InChIKeyYQZKXLOGDNQHBA-UHFFFAOYSA-N
XLogP-0.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one
CID 168702100
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168701837
1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702642
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104592328
3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide
CID 3052160
potassium;hydride;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
CID 174987008
1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168701836
1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168702646
2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide;methanesulfonic acid
CID 175196309
4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168702894
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one (CID 126986122) is 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one is CN(CN1CC(O)CC1=O)C1CC1.
What is the InChIKey of 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is YQZKXLOGDNQHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10(7-2-3-7)6-11-5-8(12)4-9(11)13/h7-8,12H,2-6H2,1H3.
What are the key properties of 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one?
1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 126986122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).