2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one

C21H36N2O3 — CID 144882774

IUPAC2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCC/C(=C(/C)C(=O)C1CCC1)N1CCC2(CCCCC2)C1=O.NCCO
InChIInChI=1S/C19H29NO2.C2H7NO/c1-3-16(14(2)17(21)15-8-7-9-15)20-13-12-19(18(20)22)10-5-4-6-11-19;3-1-2-4/h15H,3-13H2,1-2H3;4H,1-3H2/b16-14+;
InChIKeyDOUCGBJFAZEIBR-BACBYAOASA-N
MW364.53 g/mol
LogP3.16
Rot. Bonds5

About 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one

2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one (PubChem CID 144882774) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
PubChem CID144882774
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCC/C(=C(/C)C(=O)C1CCC1)N1CCC2(CCCCC2)C1=O.NCCO
InChIInChI=1S/C19H29NO2.C2H7NO/c1-3-16(14(2)17(21)15-8-7-9-15)20-13-12-19(18(20)22)10-5-4-6-11-19;3-1-2-4/h15H,3-13H2,1-2H3;4H,1-3H2/b16-14+;
InChIKeyDOUCGBJFAZEIBR-BACBYAOASA-N
XLogP3.16
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one
CID 144882775
2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-8-methyl-2-azaspiro[4.5]decan-1-one
CID 144882816

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one (CID 144882774) is 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one is CC/C(=C(/C)C(=O)C1CCC1)N1CCC2(CCCCC2)C1=O.NCCO.
What is the InChIKey of 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is DOUCGBJFAZEIBR-BACBYAOASA-N. The full InChI is InChI=1S/C19H29NO2.C2H7NO/c1-3-16(14(2)17(21)15-8-7-9-15)20-13-12-19(18(20)22)10-5-4-6-11-19;3-1-2-4/h15H,3-13H2,1-2H3;4H,1-3H2/b16-14+;.
What are the key properties of 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one?
2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 364.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-[(E)-1-cyclobutyl-2-methyl-1-oxopent-2-en-3-yl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 144882774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).