2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one

C14H21NO2 — CID 116606560

IUPAC2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
SMILESC#CCC(N)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H21NO2/c1-2-5-12(15)13(16)11-6-9-17-14(10-11)7-3-4-8-14/h1,11-12H,3-10,15H2
InChIKeyRHOLSTUJLGKCQB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds3

About 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one

2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one (PubChem CID 116606560) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one.

Molecular Properties

Compound Name2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
PubChem CID116606560
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
SMILESC#CCC(N)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H21NO2/c1-2-5-12(15)13(16)11-6-9-17-14(10-11)7-3-4-8-14/h1,11-12H,3-10,15H2
InChIKeyRHOLSTUJLGKCQB-UHFFFAOYSA-N
XLogP1.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116573884
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
2-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-one
CID 116584069
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
CID 116551165
1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
CID 116589412
2-(aminomethyl)-4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116597880

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one?
The IUPAC name of 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one (CID 116606560) is 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one.
What is the SMILES notation for 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one?
The canonical SMILES for 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one is C#CCC(N)C(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one?
The InChIKey is RHOLSTUJLGKCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-5-12(15)13(16)11-6-9-17-14(10-11)7-3-4-8-14/h1,11-12H,3-10,15H2.
What are the key properties of 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one?
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one is sourced from PubChem (CID 116606560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).