3-(2-methylaziridin-1-yl)propanenitrile

C6H10N2 — CID 14088498

IUPAC3-(2-methylaziridin-1-yl)propanenitrile
SMILESCC1CN1CCC#N
InChIInChI=1S/C6H10N2/c1-6-5-8(6)4-2-3-7/h6H,2,4-5H2,1H3
InChIKeyXEUMYCLYHUHOFN-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.60
Rot. Bonds2

About 3-(2-methylaziridin-1-yl)propanenitrile

3-(2-methylaziridin-1-yl)propanenitrile (PubChem CID 14088498) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-(2-methylaziridin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-methylaziridin-1-yl)propanenitrile
PubChem CID14088498
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-(2-methylaziridin-1-yl)propanenitrile
SMILESCC1CN1CCC#N
InChIInChI=1S/C6H10N2/c1-6-5-8(6)4-2-3-7/h6H,2,4-5H2,1H3
InChIKeyXEUMYCLYHUHOFN-UHFFFAOYSA-N
XLogP0.60
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylaziridin-1-yl)propanenitrile?
The IUPAC name of 3-(2-methylaziridin-1-yl)propanenitrile (CID 14088498) is 3-(2-methylaziridin-1-yl)propanenitrile.
What is the SMILES notation for 3-(2-methylaziridin-1-yl)propanenitrile?
The canonical SMILES for 3-(2-methylaziridin-1-yl)propanenitrile is CC1CN1CCC#N.
What is the InChIKey of 3-(2-methylaziridin-1-yl)propanenitrile?
The InChIKey is XEUMYCLYHUHOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-6-5-8(6)4-2-3-7/h6H,2,4-5H2,1H3.
What are the key properties of 3-(2-methylaziridin-1-yl)propanenitrile?
3-(2-methylaziridin-1-yl)propanenitrile has a molecular weight of 110.16 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylaziridin-1-yl)propanenitrile is sourced from PubChem (CID 14088498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).