3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C11H17N3O3 — CID 106528236

IUPAC3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=C(CN)CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C11H17N3O3/c1-8(6-12)7-14-9(15)11(13-10(14)16)2-4-17-5-3-11/h1-7,12H2,(H,13,16)
InChIKeyBWTKMGBWKJMIMJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.40
Rot. Bonds3

About 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528236) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528236
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=C(CN)CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C11H17N3O3/c1-8(6-12)7-14-9(15)11(13-10(14)16)2-4-17-5-3-11/h1-7,12H2,(H,13,16)
InChIKeyBWTKMGBWKJMIMJ-UHFFFAOYSA-N
XLogP-0.40
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528215
3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 103065667
2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid
CID 106528110
3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103736328
3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528289
3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924546
4-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)butanehydrazide
CID 106528283
3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86804220
4-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-ethylbut-2-enoic acid
CID 106528091
5-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)pentanehydrazide
CID 106528280
hydrazinyl 3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 106528282

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528236) is 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is C=C(CN)CN1C(=O)NC2(CCOCC2)C1=O.
What is the InChIKey of 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BWTKMGBWKJMIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(6-12)7-14-9(15)11(13-10(14)16)2-4-17-5-3-11/h1-7,12H2,(H,13,16).
What are the key properties of 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).