1-propan-2-ylaziridine

C5H11N — CID 23277877

IUPAC1-propan-2-ylaziridine
SMILESCC(C)N1CC1
InChIInChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3
InChIKeyMMMPMWQSPXSMAH-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.71
Rot. Bonds1

About 1-propan-2-ylaziridine

1-propan-2-ylaziridine (PubChem CID 23277877) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is 1-propan-2-ylaziridine.

Molecular Properties

Compound Name1-propan-2-ylaziridine
PubChem CID23277877
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name1-propan-2-ylaziridine
SMILESCC(C)N1CC1
InChIInChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3
InChIKeyMMMPMWQSPXSMAH-UHFFFAOYSA-N
XLogP0.71
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.71
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-propan-2-ylaziridine?
The IUPAC name of 1-propan-2-ylaziridine (CID 23277877) is 1-propan-2-ylaziridine.
What is the SMILES notation for 1-propan-2-ylaziridine?
The canonical SMILES for 1-propan-2-ylaziridine is CC(C)N1CC1.
What is the InChIKey of 1-propan-2-ylaziridine?
The InChIKey is MMMPMWQSPXSMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-ylaziridine?
1-propan-2-ylaziridine has a molecular weight of 85.15 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylaziridine is sourced from PubChem (CID 23277877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).