2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione

C14H22N2O2 — CID 113414932

IUPAC2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione
SMILESNC/C=C/CN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H22N2O2/c15-9-5-6-10-16-12(17)11-14(13(16)18)7-3-1-2-4-8-14/h5-6H,1-4,7-11,15H2/b6-5+
InChIKeyVCCIKSYRQYGISA-AATRIKPKSA-N
MW250.34 g/mol
LogP1.60
Rot. Bonds3

About 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione

2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 113414932) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID113414932
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione
SMILESNC/C=C/CN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H22N2O2/c15-9-5-6-10-16-12(17)11-14(13(16)18)7-3-1-2-4-8-14/h5-6H,1-4,7-11,15H2/b6-5+
InChIKeyVCCIKSYRQYGISA-AATRIKPKSA-N
XLogP1.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 113282808
2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 62642472
2-(3-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 62667991
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
CID 61127702
2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione
CID 43589447
2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
CID 64539399
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539
2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107849640
2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid
CID 79456834
2-(piperidin-2-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437191
2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
CID 106220356

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione (CID 113414932) is 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione is NC/C=C/CN1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is VCCIKSYRQYGISA-AATRIKPKSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-9-5-6-10-16-12(17)11-14(13(16)18)7-3-1-2-4-8-14/h5-6H,1-4,7-11,15H2/b6-5+.
What are the key properties of 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione?
2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 250.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 113414932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).