1-azaspiro[4.5]dec-3-ene

C9H15N — CID 18787119

IUPAC1-azaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCCCC2)NC1
InChIInChI=1S/C9H15N/c1-2-5-9(6-3-1)7-4-8-10-9/h4,7,10H,1-3,5-6,8H2
InChIKeyXQJPKVRKESBWPB-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.85
Rot. Bonds

About 1-azaspiro[4.5]dec-3-ene

1-azaspiro[4.5]dec-3-ene (PubChem CID 18787119) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name1-azaspiro[4.5]dec-3-ene
PubChem CID18787119
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-azaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCCCC2)NC1
InChIInChI=1S/C9H15N/c1-2-5-9(6-3-1)7-4-8-10-9/h4,7,10H,1-3,5-6,8H2
InChIKeyXQJPKVRKESBWPB-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-azaspiro[4.5]dec-3-ene?
The IUPAC name of 1-azaspiro[4.5]dec-3-ene (CID 18787119) is 1-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 1-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 1-azaspiro[4.5]dec-3-ene is C1=CC2(CCCCC2)NC1.
What is the InChIKey of 1-azaspiro[4.5]dec-3-ene?
The InChIKey is XQJPKVRKESBWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-5-9(6-3-1)7-4-8-10-9/h4,7,10H,1-3,5-6,8H2.
What are the key properties of 1-azaspiro[4.5]dec-3-ene?
1-azaspiro[4.5]dec-3-ene has a molecular weight of 137.23 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 18787119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).