2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene

C12H17N — CID 10725931

IUPAC2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene
SMILESC=C1C=CC=CC12CCCN(C)C2
InChIInChI=1S/C12H17N/c1-11-6-3-4-7-12(11)8-5-9-13(2)10-12/h3-4,6-7H,1,5,8-10H2,2H3
InChIKeyOJVZDEXFARGGDB-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.38
Rot. Bonds

About 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene

2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene (PubChem CID 10725931) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene.

Molecular Properties

Compound Name2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene
PubChem CID10725931
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene
SMILESC=C1C=CC=CC12CCCN(C)C2
InChIInChI=1S/C12H17N/c1-11-6-3-4-7-12(11)8-5-9-13(2)10-12/h3-4,6-7H,1,5,8-10H2,2H3
InChIKeyOJVZDEXFARGGDB-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene?
The IUPAC name of 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene (CID 10725931) is 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene.
What is the SMILES notation for 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene?
The canonical SMILES for 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene is C=C1C=CC=CC12CCCN(C)C2.
What is the InChIKey of 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene?
The InChIKey is OJVZDEXFARGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-11-6-3-4-7-12(11)8-5-9-13(2)10-12/h3-4,6-7H,1,5,8-10H2,2H3.
What are the key properties of 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene?
2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene has a molecular weight of 175.28 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene is sourced from PubChem (CID 10725931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).