4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide

C14H21N5O2 — CID 114420842

IUPAC4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESC#CC(C)N1C(=O)N=C(N)C12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C14H21N5O2/c1-5-10(2)19-12(20)16-11(15)14(19)6-8-18(9-7-14)13(21)17(3)4/h1,10H,6-9H2,2-4H3,(H2,15,16,20)
InChIKeyFUAIXQNKQJZVJV-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.32
Rot. Bonds1

About 4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide

4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 114420842) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound Name4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID114420842
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESC#CC(C)N1C(=O)N=C(N)C12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C14H21N5O2/c1-5-10(2)19-12(20)16-11(15)14(19)6-8-18(9-7-14)13(21)17(3)4/h1,10H,6-9H2,2-4H3,(H2,15,16,20)
InChIKeyFUAIXQNKQJZVJV-UHFFFAOYSA-N
XLogP0.32
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of 4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide (CID 114420842) is 4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for 4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for 4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide is C#CC(C)N1C(=O)N=C(N)C12CCN(C(=O)N(C)C)CC2.
What is the InChIKey of 4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is FUAIXQNKQJZVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-5-10(2)19-12(20)16-11(15)14(19)6-8-18(9-7-14)13(21)17(3)4/h1,10H,6-9H2,2-4H3,(H2,15,16,20).
What are the key properties of 4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 114420842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).