3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine

C10H20N2O2 — CID 80563875

IUPAC3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine
SMILESCOC1(OC)CN(CC2CCNC2)C1
InChIInChI=1S/C10H20N2O2/c1-13-10(14-2)7-12(8-10)6-9-3-4-11-5-9/h9,11H,3-8H2,1-2H3
InChIKeyXPRJVJVRSCAKKL-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.10
Rot. Bonds4

About 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine

3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine (PubChem CID 80563875) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine
PubChem CID80563875
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine
SMILESCOC1(OC)CN(CC2CCNC2)C1
InChIInChI=1S/C10H20N2O2/c1-13-10(14-2)7-12(8-10)6-9-3-4-11-5-9/h9,11H,3-8H2,1-2H3
InChIKeyXPRJVJVRSCAKKL-UHFFFAOYSA-N
XLogP-0.10
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.10
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-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532
N-[[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
CID 166150782
(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
CID 131186194
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
CID 62370527
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 86323550

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine?
The IUPAC name of 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine (CID 80563875) is 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine?
The canonical SMILES for 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine is COC1(OC)CN(CC2CCNC2)C1.
What is the InChIKey of 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine?
The InChIKey is XPRJVJVRSCAKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-13-10(14-2)7-12(8-10)6-9-3-4-11-5-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine?
3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine has a molecular weight of 200.28 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 80563875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).