2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one

C13H23NO3 — CID 110023213

IUPAC2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(OCC1CC1)C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C13H23NO3/c1-9(15)12-5-6-14(7-12)13(16)10(2)17-8-11-3-4-11/h9-12,15H,3-8H2,1-2H3
InChIKeyFVJZHRCWBUQJIO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds5

About 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one

2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110023213) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID110023213
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(OCC1CC1)C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C13H23NO3/c1-9(15)12-5-6-14(7-12)13(16)10(2)17-8-11-3-4-11/h9-12,15H,3-8H2,1-2H3
InChIKeyFVJZHRCWBUQJIO-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 56802515
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735
(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
CID 125152151
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 115966356
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
CID 129339148
prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 112627490
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 112627448
1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
CID 147601847
(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95283084
(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95283086
(2S)-2-(cyclopropylmethoxy)-1-[(3S,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 129425408

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one (CID 110023213) is 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one is CC(OCC1CC1)C(=O)N1CCC(C(C)O)C1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is FVJZHRCWBUQJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(15)12-5-6-14(7-12)13(16)10(2)17-8-11-3-4-11/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 241.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110023213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).