3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one

C14H19NO — CID 142015067

IUPAC3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one
SMILESC=CC1=C(C=C)C2(CCN(C)CC2)CC1=O
InChIInChI=1S/C14H19NO/c1-4-11-12(5-2)14(10-13(11)16)6-8-15(3)9-7-14/h4-5H,1-2,6-10H2,3H3
InChIKeyLCAFTHRWZQINFN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.34
Rot. Bonds2

About 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one

3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 142015067) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID142015067
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one
SMILESC=CC1=C(C=C)C2(CCN(C)CC2)CC1=O
InChIInChI=1S/C14H19NO/c1-4-11-12(5-2)14(10-13(11)16)6-8-15(3)9-7-14/h4-5H,1-2,6-10H2,3H3
InChIKeyLCAFTHRWZQINFN-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one (CID 142015067) is 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one is C=CC1=C(C=C)C2(CCN(C)CC2)CC1=O.
What is the InChIKey of 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is LCAFTHRWZQINFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-11-12(5-2)14(10-13(11)16)6-8-15(3)9-7-14/h4-5H,1-2,6-10H2,3H3.
What are the key properties of 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one?
3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-8-methyl-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 142015067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).