3-prop-1-en-2-ylaziridin-2-ol

C5H9NO — CID 163854415

IUPAC3-prop-1-en-2-ylaziridin-2-ol
SMILESC=C(C)C1NC1O
InChIInChI=1S/C5H9NO/c1-3(2)4-5(7)6-4/h4-7H,1H2,2H3
InChIKeyOXCAYKFYKJXBHF-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.15
Rot. Bonds1

About 3-prop-1-en-2-ylaziridin-2-ol

3-prop-1-en-2-ylaziridin-2-ol (PubChem CID 163854415) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3-prop-1-en-2-ylaziridin-2-ol.

Molecular Properties

Compound Name3-prop-1-en-2-ylaziridin-2-ol
PubChem CID163854415
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3-prop-1-en-2-ylaziridin-2-ol
SMILESC=C(C)C1NC1O
InChIInChI=1S/C5H9NO/c1-3(2)4-5(7)6-4/h4-7H,1H2,2H3
InChIKeyOXCAYKFYKJXBHF-UHFFFAOYSA-N
XLogP-0.15
TPSA42.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.15
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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Related Compounds

2-(Methylamino)-3-methylidenepentan-1-ol
CID 59110297
2-(Ethylamino)-3-methylbut-3-en-1-ol
CID 123757643

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-ylaziridin-2-ol?
The IUPAC name of 3-prop-1-en-2-ylaziridin-2-ol (CID 163854415) is 3-prop-1-en-2-ylaziridin-2-ol.
What is the SMILES notation for 3-prop-1-en-2-ylaziridin-2-ol?
The canonical SMILES for 3-prop-1-en-2-ylaziridin-2-ol is C=C(C)C1NC1O.
What is the InChIKey of 3-prop-1-en-2-ylaziridin-2-ol?
The InChIKey is OXCAYKFYKJXBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3(2)4-5(7)6-4/h4-7H,1H2,2H3.
What are the key properties of 3-prop-1-en-2-ylaziridin-2-ol?
3-prop-1-en-2-ylaziridin-2-ol has a molecular weight of 99.13 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-ylaziridin-2-ol is sourced from PubChem (CID 163854415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).