4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene

C10H16N2 — CID 126713060

IUPAC4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene
SMILESC=C(C)C1CCC(C)C2(C1)N=N2
InChIInChI=1S/C10H16N2/c1-7(2)9-5-4-8(3)10(6-9)11-12-10/h8-9H,1,4-6H2,2-3H3
InChIKeyAAMFVLISUWNNGS-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.16
Rot. Bonds1

About 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene

4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene (PubChem CID 126713060) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene
PubChem CID126713060
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene
SMILESC=C(C)C1CCC(C)C2(C1)N=N2
InChIInChI=1S/C10H16N2/c1-7(2)9-5-4-8(3)10(6-9)11-12-10/h8-9H,1,4-6H2,2-3H3
InChIKeyAAMFVLISUWNNGS-UHFFFAOYSA-N
XLogP3.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
The IUPAC name of 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene (CID 126713060) is 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene.
What is the SMILES notation for 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
The canonical SMILES for 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene is C=C(C)C1CCC(C)C2(C1)N=N2.
What is the InChIKey of 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
The InChIKey is AAMFVLISUWNNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)9-5-4-8(3)10(6-9)11-12-10/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene?
4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene has a molecular weight of 164.25 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene is sourced from PubChem (CID 126713060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).