2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione

C10H14N2O3 — CID 12073586

IUPAC2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESC=CCOCC1CC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H14N2O3/c1-2-3-15-6-7-4-10(5-7)8(13)11-9(14)12-10/h2,7H,1,3-6H2,(H2,11,12,13,14)
InChIKeyHXHAVODKSQHLHF-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.18
Rot. Bonds4

About 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione

2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 12073586) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID12073586
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESC=CCOCC1CC2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H14N2O3/c1-2-3-15-6-7-4-10(5-7)8(13)11-9(14)12-10/h2,7H,1,3-6H2,(H2,11,12,13,14)
InChIKeyHXHAVODKSQHLHF-UHFFFAOYSA-N
XLogP0.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione (CID 12073586) is 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione is C=CCOCC1CC2(C1)NC(=O)NC2=O.
What is the InChIKey of 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is HXHAVODKSQHLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-15-6-7-4-10(5-7)8(13)11-9(14)12-10/h2,7H,1,3-6H2,(H2,11,12,13,14).
What are the key properties of 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 210.23 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 12073586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).