1-(1,3-dioxol-2-yl)pyrrolidine

C7H11NO2 — CID 67972450

IUPAC1-(1,3-dioxol-2-yl)pyrrolidine
SMILESC1=COC(N2CCCC2)O1
InChIInChI=1S/C7H11NO2/c1-2-4-8(3-1)7-9-5-6-10-7/h5-7H,1-4H2
InChIKeyBWPXBOIMDYESJV-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.88
Rot. Bonds1

About 1-(1,3-dioxol-2-yl)pyrrolidine

1-(1,3-dioxol-2-yl)pyrrolidine (PubChem CID 67972450) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(1,3-dioxol-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(1,3-dioxol-2-yl)pyrrolidine
PubChem CID67972450
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(1,3-dioxol-2-yl)pyrrolidine
SMILESC1=COC(N2CCCC2)O1
InChIInChI=1S/C7H11NO2/c1-2-4-8(3-1)7-9-5-6-10-7/h5-7H,1-4H2
InChIKeyBWPXBOIMDYESJV-UHFFFAOYSA-N
XLogP0.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxiran-2-yl)piperidine
CID 19935661
2-pyrrolidin-1-ylcyclopropan-1-amine
CID 79670204
1-cyclopent-3-en-1-ylazepane
CID 67325729
(3R)-3-piperidin-1-yloxiran-2-ol
CID 155221642
2-(azepan-1-yl)cyclopropan-1-amine
CID 79671286
1-cyclopropylpiperidine
CID 10909573
trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
CID 130759718
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
ethane;1-(oxetan-3-yl)piperidine
CID 170574433

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxol-2-yl)pyrrolidine?
The IUPAC name of 1-(1,3-dioxol-2-yl)pyrrolidine (CID 67972450) is 1-(1,3-dioxol-2-yl)pyrrolidine.
What is the SMILES notation for 1-(1,3-dioxol-2-yl)pyrrolidine?
The canonical SMILES for 1-(1,3-dioxol-2-yl)pyrrolidine is C1=COC(N2CCCC2)O1.
What is the InChIKey of 1-(1,3-dioxol-2-yl)pyrrolidine?
The InChIKey is BWPXBOIMDYESJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-4-8(3-1)7-9-5-6-10-7/h5-7H,1-4H2.
What are the key properties of 1-(1,3-dioxol-2-yl)pyrrolidine?
1-(1,3-dioxol-2-yl)pyrrolidine has a molecular weight of 141.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxol-2-yl)pyrrolidine is sourced from PubChem (CID 67972450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).