1-but-1-en-2-ylaziridine

C6H11N — CID 59591112

IUPAC1-but-1-en-2-ylaziridine
SMILESC=C(CC)N1CC1
InChIInChI=1S/C6H11N/c1-3-6(2)7-4-5-7/h2-5H2,1H3
InChIKeyNFRWSXLFCOUFDF-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.23
Rot. Bonds2

About 1-but-1-en-2-ylaziridine

1-but-1-en-2-ylaziridine (PubChem CID 59591112) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-but-1-en-2-ylaziridine.

Molecular Properties

Compound Name1-but-1-en-2-ylaziridine
PubChem CID59591112
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-but-1-en-2-ylaziridine
SMILESC=C(CC)N1CC1
InChIInChI=1S/C6H11N/c1-3-6(2)7-4-5-7/h2-5H2,1H3
InChIKeyNFRWSXLFCOUFDF-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-but-1-en-2-ylaziridine?
The IUPAC name of 1-but-1-en-2-ylaziridine (CID 59591112) is 1-but-1-en-2-ylaziridine.
What is the SMILES notation for 1-but-1-en-2-ylaziridine?
The canonical SMILES for 1-but-1-en-2-ylaziridine is C=C(CC)N1CC1.
What is the InChIKey of 1-but-1-en-2-ylaziridine?
The InChIKey is NFRWSXLFCOUFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-3-6(2)7-4-5-7/h2-5H2,1H3.
What are the key properties of 1-but-1-en-2-ylaziridine?
1-but-1-en-2-ylaziridine has a molecular weight of 97.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-ylaziridine is sourced from PubChem (CID 59591112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).