7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one

C11H16N2O3 — CID 178167742

IUPAC7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one
SMILESC=CC(=O)N1CCN(CCO)C(=O)C12CC2
InChIInChI=1S/C11H16N2O3/c1-2-9(15)13-6-5-12(7-8-14)10(16)11(13)3-4-11/h2,14H,1,3-8H2
InChIKeyYEAAFJGPVKJIET-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.63
Rot. Bonds3

About 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one

7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one (PubChem CID 178167742) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one
PubChem CID178167742
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one
SMILESC=CC(=O)N1CCN(CCO)C(=O)C12CC2
InChIInChI=1S/C11H16N2O3/c1-2-9(15)13-6-5-12(7-8-14)10(16)11(13)3-4-11/h2,14H,1,3-8H2
InChIKeyYEAAFJGPVKJIET-UHFFFAOYSA-N
XLogP-0.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one?
The IUPAC name of 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one (CID 178167742) is 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one?
The canonical SMILES for 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one is C=CC(=O)N1CCN(CCO)C(=O)C12CC2.
What is the InChIKey of 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one?
The InChIKey is YEAAFJGPVKJIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-9(15)13-6-5-12(7-8-14)10(16)11(13)3-4-11/h2,14H,1,3-8H2.
What are the key properties of 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one?
7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one has a molecular weight of 224.26 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one is sourced from PubChem (CID 178167742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).