(7S)-7-methyl-5-azaspiro[2.4]hept-4-ene

C7H11N — CID 58666117

IUPAC(7S)-7-methyl-5-azaspiro[2.4]hept-4-ene
SMILESC[C@@H]1CN=CC12CC2
InChIInChI=1S/C7H11N/c1-6-4-8-5-7(6)2-3-7/h5-6H,2-4H2,1H3/t6-/m1/s1
InChIKeyREPPHWYCSODOME-ZCFIWIBFSA-N
MW109.17 g/mol
LogP1.49
Rot. Bonds

About (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene

(7S)-7-methyl-5-azaspiro[2.4]hept-4-ene (PubChem CID 58666117) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene.

Molecular Properties

Compound Name(7S)-7-methyl-5-azaspiro[2.4]hept-4-ene
PubChem CID58666117
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(7S)-7-methyl-5-azaspiro[2.4]hept-4-ene
SMILESC[C@@H]1CN=CC12CC2
InChIInChI=1S/C7H11N/c1-6-4-8-5-7(6)2-3-7/h5-6H,2-4H2,1H3/t6-/m1/s1
InChIKeyREPPHWYCSODOME-ZCFIWIBFSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene?
The IUPAC name of (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene (CID 58666117) is (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene.
What is the SMILES notation for (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene?
The canonical SMILES for (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene is C[C@@H]1CN=CC12CC2.
What is the InChIKey of (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene?
The InChIKey is REPPHWYCSODOME-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N/c1-6-4-8-5-7(6)2-3-7/h5-6H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene?
(7S)-7-methyl-5-azaspiro[2.4]hept-4-ene has a molecular weight of 109.17 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-5-azaspiro[2.4]hept-4-ene is sourced from PubChem (CID 58666117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).