11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione

C14H20N2O2 — CID 64972524

IUPAC11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESC#CCCN1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H20N2O2/c1-2-3-10-16-11-7-12(17)15-14(13(16)18)8-5-4-6-9-14/h1H,3-11H2,(H,15,17)
InChIKeyMHSUQSVMXUSJDF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds2

About 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione

11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione (PubChem CID 64972524) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione.

Molecular Properties

Compound Name11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
PubChem CID64972524
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESC#CCCN1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H20N2O2/c1-2-3-10-16-11-7-12(17)15-14(13(16)18)8-5-4-6-9-14/h1H,3-11H2,(H,15,17)
InChIKeyMHSUQSVMXUSJDF-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 116645589
11-(2-prop-2-ynylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 106432997
11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747
11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883163
9-prop-2-ynyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963783
11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64882771
10-(2-thiophen-3-ylethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882632
10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106409683
11-[(2-methylcyclopentyl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 107420950
11-[(5-methyl-1,2-oxazol-3-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64967825
11-(oxolan-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64881995
10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 83147466

Frequently Asked Questions

What is the IUPAC name of 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The IUPAC name of 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione (CID 64972524) is 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione.
What is the SMILES notation for 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The canonical SMILES for 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione is C#CCCN1CCC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The InChIKey is MHSUQSVMXUSJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-10-16-11-7-12(17)15-14(13(16)18)8-5-4-6-9-14/h1H,3-11H2,(H,15,17).
What are the key properties of 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione?
11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione has a molecular weight of 248.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione is sourced from PubChem (CID 64972524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).