2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate

C9H15NO2 — CID 21325303

IUPAC2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1CC1CC
InChIInChI=1S/C9H15NO2/c1-3-8-7-10(8)5-6-12-9(11)4-2/h4,8H,2-3,5-7H2,1H3
InChIKeyCGAWAAAONUDOKE-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds5

About 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate

2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate (PubChem CID 21325303) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate
PubChem CID21325303
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1CC1CC
InChIInChI=1S/C9H15NO2/c1-3-8-7-10(8)5-6-12-9(11)4-2/h4,8H,2-3,5-7H2,1H3
InChIKeyCGAWAAAONUDOKE-UHFFFAOYSA-N
XLogP0.81
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-prop-2-enoyloxyethyl 2-methylidenebutanoate
CID 57033268
carbamic acid;propyl prop-2-enoate
CID 87571569
2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
CID 66735577
butan-2-one;butyl prop-2-enoate
CID 88737685
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate
CID 18934215
ethenoxyethene;propyl prop-2-enoate
CID 174744389
pentatriacontyl prop-2-enoate
CID 141309454
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate (CID 21325303) is 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1CC1CC.
What is the InChIKey of 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate?
The InChIKey is CGAWAAAONUDOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-8-7-10(8)5-6-12-9(11)4-2/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate?
2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate has a molecular weight of 169.22 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 21325303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).