2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol

C12H23NO3 — CID 117168556

IUPAC2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol
SMILESCCN1CCC(CC2OCC(CCO)O2)C1
InChIInChI=1S/C12H23NO3/c1-2-13-5-3-10(8-13)7-12-15-9-11(16-12)4-6-14/h10-12,14H,2-9H2,1H3
InChIKeyJKSLUQFSCYAGFD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.84
Rot. Bonds5

About 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol

2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168556) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol
PubChem CID117168556
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol
SMILESCCN1CCC(CC2OCC(CCO)O2)C1
InChIInChI=1S/C12H23NO3/c1-2-13-5-3-10(8-13)7-12-15-9-11(16-12)4-6-14/h10-12,14H,2-9H2,1H3
InChIKeyJKSLUQFSCYAGFD-UHFFFAOYSA-N
XLogP0.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117168680
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
CID 115094477
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
1,3-diethylpyrrolidine;ethane
CID 145103245
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 103137712
methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate
CID 117169263
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163830
1,3-diethylpyrrolidine;formonitrile
CID 175874911
1,3-diethylpyrrolidine;ethane;molecular hydrogen
CID 143628979

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol (CID 117168556) is 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol is CCN1CCC(CC2OCC(CCO)O2)C1.
What is the InChIKey of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol?
The InChIKey is JKSLUQFSCYAGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-13-5-3-10(8-13)7-12-15-9-11(16-12)4-6-14/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol?
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol has a molecular weight of 229.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).