4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H24N2O2 — CID 114420523

IUPAC4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESC#CC(C)N1C(=O)C2(CCCCC2)NC(=O)C1C(C)C
InChIInChI=1S/C16H24N2O2/c1-5-12(4)18-13(11(2)3)14(19)17-16(15(18)20)9-7-6-8-10-16/h1,11-13H,6-10H2,2-4H3,(H,17,19)
InChIKeyNQQRAQDOFNGCNI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds2

About 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 114420523) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID114420523
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESC#CC(C)N1C(=O)C2(CCCCC2)NC(=O)C1C(C)C
InChIInChI=1S/C16H24N2O2/c1-5-12(4)18-13(11(2)3)14(19)17-16(15(18)20)9-7-6-8-10-16/h1,11-13H,6-10H2,2-4H3,(H,17,19)
InChIKeyNQQRAQDOFNGCNI-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
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

4-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960350
3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886495
4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107902269
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106329203
9-(oxan-4-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960934
9-(2-methylsulfanylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64971532
8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106224869
1-but-3-yn-2-yl-3-cyclopropyl-6-propan-2-ylpiperazine-2,5-dione
CID 114420582
9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885124
8-propan-2-yl-9-(thiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 103065107
9-(oxan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64970846
8-cyclopropyl-9-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885894

Frequently Asked Questions

What is the IUPAC name of 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 114420523) is 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is C#CC(C)N1C(=O)C2(CCCCC2)NC(=O)C1C(C)C.
What is the InChIKey of 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is NQQRAQDOFNGCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-12(4)18-13(11(2)3)14(19)17-16(15(18)20)9-7-6-8-10-16/h1,11-13H,6-10H2,2-4H3,(H,17,19).
What are the key properties of 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 276.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 114420523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).