(5S)-1,10-diazaspiro[4.6]undec-7-en-11-one

C9H14N2O — CID 139371827

IUPAC(5S)-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESO=C1NCC=CC[C@@]12CCCN2
InChIInChI=1S/C9H14N2O/c12-8-9(5-3-7-11-9)4-1-2-6-10-8/h1-2,11H,3-7H2,(H,10,12)/t9-/m1/s1
InChIKeyUVKSYLIOUSYQER-SECBINFHSA-N
MW166.22 g/mol
LogP0.18
Rot. Bonds

About (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one

(5S)-1,10-diazaspiro[4.6]undec-7-en-11-one (PubChem CID 139371827) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one.

Molecular Properties

Compound Name(5S)-1,10-diazaspiro[4.6]undec-7-en-11-one
PubChem CID139371827
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(5S)-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESO=C1NCC=CC[C@@]12CCCN2
InChIInChI=1S/C9H14N2O/c12-8-9(5-3-7-11-9)4-1-2-6-10-8/h1-2,11H,3-7H2,(H,10,12)/t9-/m1/s1
InChIKeyUVKSYLIOUSYQER-SECBINFHSA-N
XLogP0.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
3,3-Difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371875
1,10-Diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde
CID 139371919
1-(2,2,2-Trifluoroacetyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371920
(2R)-N,N-dimethyl-2-prop-2-enylpyrrolidine-2-carboxamide
CID 154720748
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopent-2-en-1-ylacetamide
CID 18153592
(2S)-N-[(E,4S)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 70475073
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
N-cyclohex-2-en-1-ylpyrrolidine-2-carboxamide
CID 130689559
(5R)-1,7-diazaspiro[4.6]undec-9-en-6-one
CID 131135967

Frequently Asked Questions

What is the IUPAC name of (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one?
The IUPAC name of (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one (CID 139371827) is (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one.
What is the SMILES notation for (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one?
The canonical SMILES for (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one is O=C1NCC=CC[C@@]12CCCN2.
What is the InChIKey of (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one?
The InChIKey is UVKSYLIOUSYQER-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2O/c12-8-9(5-3-7-11-9)4-1-2-6-10-8/h1-2,11H,3-7H2,(H,10,12)/t9-/m1/s1.
What are the key properties of (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one?
(5S)-1,10-diazaspiro[4.6]undec-7-en-11-one has a molecular weight of 166.22 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,10-diazaspiro[4.6]undec-7-en-11-one is sourced from PubChem (CID 139371827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).