N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide

C15H22N2O3 — CID 136679925

IUPACN-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide
SMILESCCCC(=O)/N=C1C(=C(\C)O)/C(=O)N(C)C/12CCCC2
InChIInChI=1S/C15H22N2O3/c1-4-7-11(19)16-13-12(10(2)18)14(20)17(3)15(13)8-5-6-9-15/h18H,4-9H2,1-3H3/b12-10-,16-13-
InChIKeyLZDWBSJXFXEZID-FBSXDCMYSA-N
MW278.35 g/mol
LogP2.37
Rot. Bonds2

About N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide

N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide (PubChem CID 136679925) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide.

Molecular Properties

Compound NameN-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide
PubChem CID136679925
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide
SMILESCCCC(=O)/N=C1C(=C(\C)O)/C(=O)N(C)C/12CCCC2
InChIInChI=1S/C15H22N2O3/c1-4-7-11(19)16-13-12(10(2)18)14(20)17(3)15(13)8-5-6-9-15/h18H,4-9H2,1-3H3/b12-10-,16-13-
InChIKeyLZDWBSJXFXEZID-FBSXDCMYSA-N
XLogP2.37
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-azaspiro[4.4]nonane-2,4-dione
CID 14507935
acetic acid;butanoic acid;cyclohexane
CID 69297326
butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
CID 67588053
1-(2,2-diphenylpiperidin-1-yl)butan-1-one
CID 174614105
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid
CID 53389145
(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid
CID 162479525
(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid
CID 68682826
N-oxobutanamide
CID 87293137
1-methyl-1-azaspiro[4.6]undecan-4-one
CID 18468802
3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7850205
ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate
CID 7850188

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide?
The IUPAC name of N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide (CID 136679925) is N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide.
What is the SMILES notation for N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide?
The canonical SMILES for N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide is CCCC(=O)/N=C1C(=C(\C)O)/C(=O)N(C)C/12CCCC2.
What is the InChIKey of N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide?
The InChIKey is LZDWBSJXFXEZID-FBSXDCMYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-7-11(19)16-13-12(10(2)18)14(20)17(3)15(13)8-5-6-9-15/h18H,4-9H2,1-3H3/b12-10-,16-13-.
What are the key properties of N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide?
N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide has a molecular weight of 278.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(1-hydroxyethylidene)-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene]butanamide is sourced from PubChem (CID 136679925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).