2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane

C11H20N2 — CID 130525863

IUPAC2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane
SMILESC/C=C/CN1CCC2(CCNC2)C1
InChIInChI=1S/C11H20N2/c1-2-3-7-13-8-5-11(10-13)4-6-12-9-11/h2-3,12H,4-10H2,1H3/b3-2+
InChIKeyOHXQPUUBTSMBRX-NSCUHMNNSA-N
MW180.30 g/mol
LogP1.25
Rot. Bonds2

About 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane

2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 130525863) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane
PubChem CID130525863
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane
SMILESC/C=C/CN1CCC2(CCNC2)C1
InChIInChI=1S/C11H20N2/c1-2-3-7-13-8-5-11(10-13)4-6-12-9-11/h2-3,12H,4-10H2,1H3/b3-2+
InChIKeyOHXQPUUBTSMBRX-NSCUHMNNSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
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 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane (CID 130525863) is 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane is C/C=C/CN1CCC2(CCNC2)C1.
What is the InChIKey of 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is OHXQPUUBTSMBRX-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-3-7-13-8-5-11(10-13)4-6-12-9-11/h2-3,12H,4-10H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane?
2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 180.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 130525863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).