1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone

C11H19NO2 — CID 143121486

IUPAC1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone
SMILESCC1(CC(=O)N2CCCC2CO)CC1
InChIInChI=1S/C11H19NO2/c1-11(4-5-11)7-10(14)12-6-2-3-9(12)8-13/h9,13H,2-8H2,1H3
InChIKeySGKMHIOLKOYKAY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.16
Rot. Bonds3

About 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone (PubChem CID 143121486) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone
PubChem CID143121486
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone
SMILESCC1(CC(=O)N2CCCC2CO)CC1
InChIInChI=1S/C11H19NO2/c1-11(4-5-11)7-10(14)12-6-2-3-9(12)8-13/h9,13H,2-8H2,1H3
InChIKeySGKMHIOLKOYKAY-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid
CID 107214338
2-[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid
CID 61409048
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 61409975
2-[1-[2-[2-(hydroxymethyl)azepan-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 116634316
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
3-chloro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409554
3-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 64678621
2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410962
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 107217823
(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218110
3,3,3-trifluoro-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79029042

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone (CID 143121486) is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone is CC1(CC(=O)N2CCCC2CO)CC1.
What is the InChIKey of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone?
The InChIKey is SGKMHIOLKOYKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(4-5-11)7-10(14)12-6-2-3-9(12)8-13/h9,13H,2-8H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone?
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone is sourced from PubChem (CID 143121486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).