3-prop-2-enyl-3-azaspiro[5.5]undecane

C13H23N — CID 125489505

IUPAC3-prop-2-enyl-3-azaspiro[5.5]undecane
SMILESC=CCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H23N/c1-2-10-14-11-8-13(9-12-14)6-4-3-5-7-13/h2H,1,3-12H2
InChIKeyINVGTLZYKJURCL-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.22
Rot. Bonds2

About 3-prop-2-enyl-3-azaspiro[5.5]undecane

3-prop-2-enyl-3-azaspiro[5.5]undecane (PubChem CID 125489505) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-prop-2-enyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-prop-2-enyl-3-azaspiro[5.5]undecane
PubChem CID125489505
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-prop-2-enyl-3-azaspiro[5.5]undecane
SMILESC=CCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H23N/c1-2-10-14-11-8-13(9-12-14)6-4-3-5-7-13/h2H,1,3-12H2
InChIKeyINVGTLZYKJURCL-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl(213C)azinane
CID 173137320
7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane
CID 131237372
1-prop-2-enylpiperidine;urea
CID 66978518
ethyl (E)-4-(3-azaspiro[5.5]undecan-3-yl)but-2-enoate
CID 80549568
1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-N-methylcyclohexan-1-amine
CID 65241886
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
CID 55157288
[1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexyl]methanamine
CID 63159912
4-piperidin-1-yl-1-prop-2-enylpiperidine
CID 51086783
1-iodo-4-prop-2-enylpiperazine
CID 129141031
potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746003
3-(5-chloropentyl)-3-azaspiro[5.5]undecane
CID 63446917
ethyl (E)-4-(8-azaspiro[4.5]decan-8-yl)but-2-enoate
CID 80549264

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-3-azaspiro[5.5]undecane?
The IUPAC name of 3-prop-2-enyl-3-azaspiro[5.5]undecane (CID 125489505) is 3-prop-2-enyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-prop-2-enyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-prop-2-enyl-3-azaspiro[5.5]undecane is C=CCN1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-prop-2-enyl-3-azaspiro[5.5]undecane?
The InChIKey is INVGTLZYKJURCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-10-14-11-8-13(9-12-14)6-4-3-5-7-13/h2H,1,3-12H2.
What are the key properties of 3-prop-2-enyl-3-azaspiro[5.5]undecane?
3-prop-2-enyl-3-azaspiro[5.5]undecane has a molecular weight of 193.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 125489505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).