1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde

C11H15F3N2O2 — CID 139371919

IUPAC1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde
SMILESO=C1NCC=CCC12CCCN2.O=CC(F)(F)F
InChIInChI=1S/C9H14N2O.C2HF3O/c12-8-9(5-3-7-11-9)4-1-2-6-10-8;3-2(4,5)1-6/h1-2,11H,3-7H2,(H,10,12);1H
InChIKeyRHSRKUWUSKZXJP-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.93
Rot. Bonds

About 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde

1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde (PubChem CID 139371919) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde
PubChem CID139371919
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde
SMILESO=C1NCC=CCC12CCCN2.O=CC(F)(F)F
InChIInChI=1S/C9H14N2O.C2HF3O/c12-8-9(5-3-7-11-9)4-1-2-6-10-8;3-2(4,5)1-6/h1-2,11H,3-7H2,(H,10,12);1H
InChIKeyRHSRKUWUSKZXJP-UHFFFAOYSA-N
XLogP0.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-Difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371875
1-(2,2,2-Trifluoroacetyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371920
1,10-Diazaspiro[4.6]undec-7-en-11-one
CID 86063184
10-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 86063202
(5R)-1,7-diazaspiro[4.6]undec-9-en-6-one
CID 131135967
(5R)-10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 131213590
1-Acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371515
1-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371628
2-(11-Oxo-1,10-diazaspiro[4.6]undec-7-en-1-yl)acetamide
CID 139371635
1-(2-Methylpropanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371788
(5S)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371827
1,10-Diazaspiro[4.6]undec-7-en-11-one;hydrochloride
CID 139371929

Frequently Asked Questions

What is the IUPAC name of 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde (CID 139371919) is 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde is O=C1NCC=CCC12CCCN2.O=CC(F)(F)F.
What is the InChIKey of 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde?
The InChIKey is RHSRKUWUSKZXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2HF3O/c12-8-9(5-3-7-11-9)4-1-2-6-10-8;3-2(4,5)1-6/h1-2,11H,3-7H2,(H,10,12);1H.
What are the key properties of 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde?
1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde has a molecular weight of 264.25 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 139371919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).