1-(2-methylprop-2-enyl)aziridine

C6H11N — CID 535813

IUPAC1-(2-methylprop-2-enyl)aziridine
SMILESC=C(C)CN1CC1
InChIInChI=1S/C6H11N/c1-6(2)5-7-3-4-7/h1,3-5H2,2H3
InChIKeyMORVHEIJTBBUSR-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.88
Rot. Bonds2

About 1-(2-methylprop-2-enyl)aziridine

1-(2-methylprop-2-enyl)aziridine (PubChem CID 535813) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)aziridine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)aziridine
PubChem CID535813
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-(2-methylprop-2-enyl)aziridine
SMILESC=C(C)CN1CC1
InChIInChI=1S/C6H11N/c1-6(2)5-7-3-4-7/h1,3-5H2,2H3
InChIKeyMORVHEIJTBBUSR-UHFFFAOYSA-N
XLogP0.88
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)aziridine?
The IUPAC name of 1-(2-methylprop-2-enyl)aziridine (CID 535813) is 1-(2-methylprop-2-enyl)aziridine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)aziridine?
The canonical SMILES for 1-(2-methylprop-2-enyl)aziridine is C=C(C)CN1CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)aziridine?
The InChIKey is MORVHEIJTBBUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)5-7-3-4-7/h1,3-5H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)aziridine?
1-(2-methylprop-2-enyl)aziridine has a molecular weight of 97.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)aziridine is sourced from PubChem (CID 535813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).