2-azaspiro[4.5]decane;ethyl formate

C12H23NO2 — CID 144702388

IUPAC2-azaspiro[4.5]decane;ethyl formate
SMILESC1CCC2(CC1)CCNC2.CCOC=O
InChIInChI=1S/C9H17N.C3H6O2/c1-2-4-9(5-3-1)6-7-10-8-9;1-2-5-3-4/h10H,1-8H2;3H,2H2,1H3
InChIKeySPAOFFQGLRYLBX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds2

About 2-azaspiro[4.5]decane;ethyl formate

2-azaspiro[4.5]decane;ethyl formate (PubChem CID 144702388) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-azaspiro[4.5]decane;ethyl formate.

Molecular Properties

Compound Name2-azaspiro[4.5]decane;ethyl formate
PubChem CID144702388
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-azaspiro[4.5]decane;ethyl formate
SMILESC1CCC2(CC1)CCNC2.CCOC=O
InChIInChI=1S/C9H17N.C3H6O2/c1-2-4-9(5-3-1)6-7-10-8-9;1-2-5-3-4/h10H,1-8H2;3H,2H2,1H3
InChIKeySPAOFFQGLRYLBX-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-azaspiro[4.5]decane;ethene
CID 171834081
ethyl formate;(4-methylpiperidin-4-yl)methanol
CID 160700182
2-azaspiro[3.3]heptane;5-azaspiro[2.4]heptane
CID 170601553
ethyl formate;1-methylcyclobutan-1-amine
CID 174536210
calcium;ethyl formate;dichloride
CID 174827324
3-azaspiro[5.5]undecane;ethane;propane
CID 177188423
2,7-diazaspiro[3.4]octane;propane
CID 177136819
7-azaspiro[3.5]nonane;propane
CID 91104176
ethyl formate;piperidine-4-carbaldehyde
CID 158189584
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
lithium;ethyl formate;hydroxide
CID 174914217
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decane;ethyl formate?
The IUPAC name of 2-azaspiro[4.5]decane;ethyl formate (CID 144702388) is 2-azaspiro[4.5]decane;ethyl formate.
What is the SMILES notation for 2-azaspiro[4.5]decane;ethyl formate?
The canonical SMILES for 2-azaspiro[4.5]decane;ethyl formate is C1CCC2(CC1)CCNC2.CCOC=O.
What is the InChIKey of 2-azaspiro[4.5]decane;ethyl formate?
The InChIKey is SPAOFFQGLRYLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C3H6O2/c1-2-4-9(5-3-1)6-7-10-8-9;1-2-5-3-4/h10H,1-8H2;3H,2H2,1H3.
What are the key properties of 2-azaspiro[4.5]decane;ethyl formate?
2-azaspiro[4.5]decane;ethyl formate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decane;ethyl formate is sourced from PubChem (CID 144702388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).