acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane

C23H43N3O4 — CID 178168061

IUPACacetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane
SMILESCC(=O)N1CCN(CC(=O)N2CCCC2)C(=O)C12CCC2.CC=O.CCC.CCC
InChIInChI=1S/C15H23N3O3.2C3H8.C2H4O/c1-12(19)18-10-9-17(14(21)15(18)5-4-6-15)11-13(20)16-7-2-3-8-16;2*1-3-2;1-2-3/h2-11H2,1H3;2*3H2,1-2H3;2H,1H3
InChIKeyYHBCKRCRJSXGDM-UHFFFAOYSA-N
MW425.61 g/mol
LogP3.26
Rot. Bonds2

About acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane

acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane (PubChem CID 178168061) has the molecular formula C23H43N3O4 and a molecular weight of 425.61 g/mol. Its IUPAC name is acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane.

Molecular Properties

Compound Nameacetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane
PubChem CID178168061
Molecular FormulaC23H43N3O4
Molecular Weight425.61 g/mol
Exact Mass425.33
IUPAC Nameacetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane
SMILESCC(=O)N1CCN(CC(=O)N2CCCC2)C(=O)C12CCC2.CC=O.CCC.CCC
InChIInChI=1S/C15H23N3O3.2C3H8.C2H4O/c1-12(19)18-10-9-17(14(21)15(18)5-4-6-15)11-13(20)16-7-2-3-8-16;2*1-3-2;1-2-3/h2-11H2,1H3;2*3H2,1-2H3;2H,1H3
InChIKeyYHBCKRCRJSXGDM-UHFFFAOYSA-N
XLogP3.26
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.61
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 90330211
formic acid;1-methyl-3-(trifluoromethyl)benzene;7-(2-oxo-2-pyrrolidin-1-ylethyl)-4-prop-2-enoyl-4,7-diazaspiro[2.5]octan-8-one
CID 178167526
8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3443375
3-[2-(azetidin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 127271628
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
propane;1-pyrrolidin-1-ylethanone
CID 143432619
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163307131
3-[2-(azepan-1-yl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 84601215
ethyl 4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate
CID 91639709
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
CID 110689775

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane?
The IUPAC name of acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane (CID 178168061) is acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane.
What is the SMILES notation for acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane?
The canonical SMILES for acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane is CC(=O)N1CCN(CC(=O)N2CCCC2)C(=O)C12CCC2.CC=O.CCC.CCC.
What is the InChIKey of acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane?
The InChIKey is YHBCKRCRJSXGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.2C3H8.C2H4O/c1-12(19)18-10-9-17(14(21)15(18)5-4-6-15)11-13(20)16-7-2-3-8-16;2*1-3-2;1-2-3/h2-11H2,1H3;2*3H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane?
acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane has a molecular weight of 425.61 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;5-acetyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-5,8-diazaspiro[3.5]nonan-9-one;propane is sourced from PubChem (CID 178168061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).