ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate

C15H25NO2 — CID 13106409

IUPACethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate
SMILESCCOC(=O)CC1N(C)CCCC12CC=CCC2
InChIInChI=1S/C15H25NO2/c1-3-18-14(17)12-13-15(8-5-4-6-9-15)10-7-11-16(13)2/h4-5,13H,3,6-12H2,1-2H3
InChIKeyBWNUYOYMQJWICY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.76
Rot. Bonds3

About ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate

ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate (PubChem CID 13106409) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate
PubChem CID13106409
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate
SMILESCCOC(=O)CC1N(C)CCCC12CC=CCC2
InChIInChI=1S/C15H25NO2/c1-3-18-14(17)12-13-15(8-5-4-6-9-15)10-7-11-16(13)2/h4-5,13H,3,6-12H2,1-2H3
InChIKeyBWNUYOYMQJWICY-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.76
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

CID 67561889
CID 67561889
CID 10016363
CID 10016363
CID 10037812
CID 10037812
CID 10400656
CID 10400656
CID 13106435
CID 13106435
CID 13106437
CID 13106437
CID 13106439
CID 13106439
CID 13106441
CID 13106441
CID 13106442
CID 13106442
CID 13106443
CID 13106443
CID 54899857
CID 54899857
CID 54899904
CID 54899904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
The IUPAC name of ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate (CID 13106409) is ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate is CCOC(=O)CC1N(C)CCCC12CC=CCC2.
What is the InChIKey of ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
The InChIKey is BWNUYOYMQJWICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-18-14(17)12-13-15(8-5-4-6-9-15)10-7-11-16(13)2/h4-5,13H,3,6-12H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate?
ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate has a molecular weight of 251.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-2-azaspiro[5.5]undec-9-en-1-yl)acetate is sourced from PubChem (CID 13106409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).