11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene

C13H19N — CID 10559562

IUPAC11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene
SMILESC=C1C=CC=CC12CCCCN(C)C2
InChIInChI=1S/C13H19N/c1-12-7-3-4-8-13(12)9-5-6-10-14(2)11-13/h3-4,7-8H,1,5-6,9-11H2,2H3
InChIKeyNQMVCKRGJHMIIL-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.77
Rot. Bonds

About 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene

11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene (PubChem CID 10559562) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene.

Molecular Properties

Compound Name11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene
PubChem CID10559562
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene
SMILESC=C1C=CC=CC12CCCCN(C)C2
InChIInChI=1S/C13H19N/c1-12-7-3-4-8-13(12)9-5-6-10-14(2)11-13/h3-4,7-8H,1,5-6,9-11H2,2H3
InChIKeyNQMVCKRGJHMIIL-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene?
The IUPAC name of 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene (CID 10559562) is 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene.
What is the SMILES notation for 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene?
The canonical SMILES for 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene is C=C1C=CC=CC12CCCCN(C)C2.
What is the InChIKey of 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene?
The InChIKey is NQMVCKRGJHMIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-12-7-3-4-8-13(12)9-5-6-10-14(2)11-13/h3-4,7-8H,1,5-6,9-11H2,2H3.
What are the key properties of 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene?
11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene has a molecular weight of 189.30 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5-methylidene-11-azaspiro[5.6]dodeca-1,3-diene is sourced from PubChem (CID 10559562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).