7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane

C11H19NO2 — CID 130964518

IUPAC7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESC=C(C)CCN1CCC2(C1)OCCO2
InChIInChI=1S/C11H19NO2/c1-10(2)3-5-12-6-4-11(9-12)13-7-8-14-11/h1,3-9H2,2H3
InChIKeyZITZEHXBXBNJLM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.40
Rot. Bonds3

About 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane

7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 130964518) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID130964518
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESC=C(C)CCN1CCC2(C1)OCCO2
InChIInChI=1S/C11H19NO2/c1-10(2)3-5-12-6-4-11(9-12)13-7-8-14-11/h1,3-9H2,2H3
InChIKeyZITZEHXBXBNJLM-UHFFFAOYSA-N
XLogP1.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(3-methylbut-3-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 114448872
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N-methylpropanamide
CID 131182035
7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131182289
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine
CID 99833971
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpropanamide
CID 109028480
1-(3-methylbut-3-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114473180
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid
CID 165467220
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
CID 112726882
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
7-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130971030
3,3-dimethyl-1-(3-methylbut-3-enyl)-1,4-diazepane
CID 130993760
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1-pyrrolidin-1-ylethanone
CID 131182071

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane (CID 130964518) is 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane is C=C(C)CCN1CCC2(C1)OCCO2.
What is the InChIKey of 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is ZITZEHXBXBNJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)3-5-12-6-4-11(9-12)13-7-8-14-11/h1,3-9H2,2H3.
What are the key properties of 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 197.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 130964518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).