7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one

C15H24N2O3 — CID 72938562

IUPAC7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)=CC(=O)N1CCC2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C15H24N2O3/c1-12(2)10-13(19)17-7-5-15(11-17)4-3-6-16(8-9-18)14(15)20/h10,18H,3-9,11H2,1-2H3
InChIKeyDLAYFZKHRLOEGO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.79
Rot. Bonds3

About 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72938562) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72938562
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)=CC(=O)N1CCC2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C15H24N2O3/c1-12(2)10-13(19)17-7-5-15(11-17)4-3-6-16(8-9-18)14(15)20/h10,18H,3-9,11H2,1-2H3
InChIKeyDLAYFZKHRLOEGO-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-[(2E)-2-methyl-2-buten-1-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 45217622
(5S)-7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510274
(5R)-7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510276
7-Methyl-2-(2-methylbut-2-enyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72075678
7-(2-hydroxyethyl)-2-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871266
7-(2-Hydroxyethyl)-2-(4-methyl-3-penten-1-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72872187
7-(Cyclobutylmethyl)-2-(3-methyl-2-butenoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72936641
(5R)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97124013
(5S)-7-(2-hydroxyethyl)-2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97124014
(5R)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97124390
(5S)-7-(2-hydroxyethyl)-2-(4-methylpent-3-enyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97124391
(5R)-7-(cyclobutylmethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97154673

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72938562) is 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)=CC(=O)N1CCC2(CCCN(CCO)C2=O)C1.
What is the InChIKey of 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DLAYFZKHRLOEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(2)10-13(19)17-7-5-15(11-17)4-3-6-16(8-9-18)14(15)20/h10,18H,3-9,11H2,1-2H3.
What are the key properties of 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 280.37 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-2-(3-methylbut-2-enoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72938562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).