(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine

C7H13NO2 — CID 55303426

IUPAC(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
SMILESCC1(C)OC[C@H]([C@H]2CN2)O1
InChIInChI=1S/C7H13NO2/c1-7(2)9-4-6(10-7)5-3-8-5/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyUNBXEUBRBQATOW-PHDIDXHHSA-N
MW143.19 g/mol
LogP0.11
Rot. Bonds1

About (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine (PubChem CID 55303426) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
PubChem CID55303426
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
SMILESCC1(C)OC[C@H]([C@H]2CN2)O1
InChIInChI=1S/C7H13NO2/c1-7(2)9-4-6(10-7)5-3-8-5/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyUNBXEUBRBQATOW-PHDIDXHHSA-N
XLogP0.11
TPSA40.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
CID 174484785
(3aS,4S,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 14101280
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydro-1H-pyrrole
CID 102471705
(1S,7R)-4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
CID 11029957
2,2-dimethyl-4-[(2S)-oxolan-2-yl]-1,3-dioxolane
CID 121404200
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343
[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methanol
CID 131201511
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloxirane-2-carbaldehyde
CID 130035501
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
CID 85125788
(4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(Z)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 101004851
[(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol
CID 142059683

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine (CID 55303426) is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine is CC1(C)OC[C@H]([C@H]2CN2)O1.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine?
The InChIKey is UNBXEUBRBQATOW-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)9-4-6(10-7)5-3-8-5/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine?
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine has a molecular weight of 143.19 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine is sourced from PubChem (CID 55303426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).