1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one

C12H21NO2 — CID 79545987

IUPAC1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC1CCCO1
InChIInChI=1S/C12H21NO2/c1-10(14)8-11-4-2-6-13(11)9-12-5-3-7-15-12/h11-12H,2-9H2,1H3
InChIKeyJXRMGFOLYYAGAM-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.61
Rot. Bonds4

About 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one

1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79545987) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79545987
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC1CCCO1
InChIInChI=1S/C12H21NO2/c1-10(14)8-11-4-2-6-13(11)9-12-5-3-7-15-12/h11-12H,2-9H2,1H3
InChIKeyJXRMGFOLYYAGAM-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one
CID 79559959
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
CID 56824355
tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate
CID 96519465
2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388857
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
CID 43591930
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one (CID 79545987) is 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1CC1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is JXRMGFOLYYAGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(14)8-11-4-2-6-13(11)9-12-5-3-7-15-12/h11-12H,2-9H2,1H3.
What are the key properties of 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79545987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).