3-(aziridin-2-yl)prop-2-en-1-ol

C5H9NO — CID 57054055

IUPAC3-(aziridin-2-yl)prop-2-en-1-ol
SMILESOCC=CC1CN1
InChIInChI=1S/C5H9NO/c7-3-1-2-5-4-6-5/h1-2,5-7H,3-4H2
InChIKeyJKWKNPJELKABGJ-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.49
Rot. Bonds2

About 3-(aziridin-2-yl)prop-2-en-1-ol

3-(aziridin-2-yl)prop-2-en-1-ol (PubChem CID 57054055) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3-(aziridin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(aziridin-2-yl)prop-2-en-1-ol
PubChem CID57054055
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3-(aziridin-2-yl)prop-2-en-1-ol
SMILESOCC=CC1CN1
InChIInChI=1S/C5H9NO/c7-3-1-2-5-4-6-5/h1-2,5-7H,3-4H2
InChIKeyJKWKNPJELKABGJ-UHFFFAOYSA-N
XLogP-0.49
TPSA42.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-(aziridin-2-yl)prop-2-en-1-ol?
The IUPAC name of 3-(aziridin-2-yl)prop-2-en-1-ol (CID 57054055) is 3-(aziridin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(aziridin-2-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(aziridin-2-yl)prop-2-en-1-ol is OCC=CC1CN1.
What is the InChIKey of 3-(aziridin-2-yl)prop-2-en-1-ol?
The InChIKey is JKWKNPJELKABGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c7-3-1-2-5-4-6-5/h1-2,5-7H,3-4H2.
What are the key properties of 3-(aziridin-2-yl)prop-2-en-1-ol?
3-(aziridin-2-yl)prop-2-en-1-ol has a molecular weight of 99.13 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 57054055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).