1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol

C10H21NO3 — CID 112626536

IUPAC1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
SMILESCOC(CN1CCC(C(C)O)C1)OC
InChIInChI=1S/C10H21NO3/c1-8(12)9-4-5-11(6-9)7-10(13-2)14-3/h8-10,12H,4-7H2,1-3H3
InChIKeySUVZWXYAEDVDJQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.31
Rot. Bonds5

About 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol

1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol (PubChem CID 112626536) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
PubChem CID112626536
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
SMILESCOC(CN1CCC(C(C)O)C1)OC
InChIInChI=1S/C10H21NO3/c1-8(12)9-4-5-11(6-9)7-10(13-2)14-3/h8-10,12H,4-7H2,1-3H3
InChIKeySUVZWXYAEDVDJQ-UHFFFAOYSA-N
XLogP0.31
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 112628064
1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
CID 66222555
1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
CID 66223207
1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
CID 112628065
methyl 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbut-2-enoate
CID 103942816
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
CID 66222772
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
2-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]but-2-enoic acid
CID 103942814
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
CID 115965519
1-(2,2-dimethoxyethyl)-3-ethylpiperidine
CID 66221675
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol (CID 112626536) is 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol is COC(CN1CCC(C(C)O)C1)OC.
What is the InChIKey of 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is SUVZWXYAEDVDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(12)9-4-5-11(6-9)7-10(13-2)14-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol?
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 203.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112626536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).