6-methyl-2-azaspiro[3.3]hept-6-ene

C7H11N — CID 164585353

IUPAC6-methyl-2-azaspiro[3.3]hept-6-ene
SMILESCC1=CC2(CNC2)C1
InChIInChI=1S/C7H11N/c1-6-2-7(3-6)4-8-5-7/h2,8H,3-5H2,1H3
InChIKeyXFGWODMWBKXZBN-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.93
Rot. Bonds

About 6-methyl-2-azaspiro[3.3]hept-6-ene

6-methyl-2-azaspiro[3.3]hept-6-ene (PubChem CID 164585353) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 6-methyl-2-azaspiro[3.3]hept-6-ene.

Molecular Properties

Compound Name6-methyl-2-azaspiro[3.3]hept-6-ene
PubChem CID164585353
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name6-methyl-2-azaspiro[3.3]hept-6-ene
SMILESCC1=CC2(CNC2)C1
InChIInChI=1S/C7H11N/c1-6-2-7(3-6)4-8-5-7/h2,8H,3-5H2,1H3
InChIKeyXFGWODMWBKXZBN-UHFFFAOYSA-N
XLogP0.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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7-methylspiro[2.5]oct-7-ene
CID 86647583
2,2,4-trimethyl-1,3-dihydropyridine-6-thione
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1,3,3-trimethyl-5,5-di(propan-2-yl)cyclohexene
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3-(5-chloro-2-methylphenyl)azetidin-3-amine
CID 166608836
(1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
CID 91231117
3-fluoro-3-(4-phenylphenyl)azetidine
CID 112563501
1,5-dimethyl-3-azabicyclo[3.1.0]hexane
CID 23049859
1,5-dimethyl-3-azabicyclo[3.2.0]heptane
CID 23049848
1-(3a,5,6a-trimethyl-1,2,3,4-tetrahydropentalen-2-yl)azetidine
CID 59877177
3,3,5,5-tetramethylpiperidine-4-thione
CID 171980151

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-azaspiro[3.3]hept-6-ene?
The IUPAC name of 6-methyl-2-azaspiro[3.3]hept-6-ene (CID 164585353) is 6-methyl-2-azaspiro[3.3]hept-6-ene.
What is the SMILES notation for 6-methyl-2-azaspiro[3.3]hept-6-ene?
The canonical SMILES for 6-methyl-2-azaspiro[3.3]hept-6-ene is CC1=CC2(CNC2)C1.
What is the InChIKey of 6-methyl-2-azaspiro[3.3]hept-6-ene?
The InChIKey is XFGWODMWBKXZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-2-7(3-6)4-8-5-7/h2,8H,3-5H2,1H3.
What are the key properties of 6-methyl-2-azaspiro[3.3]hept-6-ene?
6-methyl-2-azaspiro[3.3]hept-6-ene has a molecular weight of 109.17 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-azaspiro[3.3]hept-6-ene is sourced from PubChem (CID 164585353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).