4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C16H25N3O — CID 114420644

IUPAC4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC#CC(C)N1C(=O)N=C(N)C12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H25N3O/c1-7-11(2)19-13(20)18-12(17)16(19)9-14(3,4)8-15(5,6)10-16/h1,11H,8-10H2,2-6H3,(H2,17,18,20)
InChIKeyAVJXLLPNFUQSKO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.78
Rot. Bonds1

About 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 114420644) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID114420644
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESC#CC(C)N1C(=O)N=C(N)C12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H25N3O/c1-7-11(2)19-13(20)18-12(17)16(19)9-14(3,4)8-15(5,6)10-16/h1,11H,8-10H2,2-6H3,(H2,17,18,20)
InChIKeyAVJXLLPNFUQSKO-UHFFFAOYSA-N
XLogP2.78
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 114420644) is 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one is C#CC(C)N1C(=O)N=C(N)C12CC(C)(C)CC(C)(C)C2.
What is the InChIKey of 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is AVJXLLPNFUQSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-7-11(2)19-13(20)18-12(17)16(19)9-14(3,4)8-15(5,6)10-16/h1,11H,8-10H2,2-6H3,(H2,17,18,20).
What are the key properties of 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 114420644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).