1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine

C12H23NO3 — CID 66472725

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(CCC2OCCCO2)C1
InChIInChI=1S/C12H23NO3/c1-14-10-11-3-5-13(9-11)6-4-12-15-7-2-8-16-12/h11-12H,2-10H2,1H3
InChIKeyOWQXEROOCCNFDS-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.11
Rot. Bonds5

About 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine

1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine (PubChem CID 66472725) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine
PubChem CID66472725
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(CCC2OCCCO2)C1
InChIInChI=1S/C12H23NO3/c1-14-10-11-3-5-13(9-11)6-4-12-15-7-2-8-16-12/h11-12H,2-10H2,1H3
InChIKeyOWQXEROOCCNFDS-UHFFFAOYSA-N
XLogP1.11
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine (CID 66472725) is 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine is COCC1CCN(CCC2OCCCO2)C1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine?
The InChIKey is OWQXEROOCCNFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-14-10-11-3-5-13(9-11)6-4-12-15-7-2-8-16-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine?
1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine has a molecular weight of 229.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 66472725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).