1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one

C11H16N2O2 — CID 139371515

IUPAC1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCC(=O)N1CCCC12CC=CCNC2=O
InChIInChI=1S/C11H16N2O2/c1-9(14)13-8-4-6-11(13)5-2-3-7-12-10(11)15/h2-3H,4-8H2,1H3,(H,12,15)
InChIKeyKTTXTQUFBDOZSW-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.44
Rot. Bonds

About 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one

1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one (PubChem CID 139371515) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one.

Molecular Properties

Compound Name1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one
PubChem CID139371515
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCC(=O)N1CCCC12CC=CCNC2=O
InChIInChI=1S/C11H16N2O2/c1-9(14)13-8-4-6-11(13)5-2-3-7-12-10(11)15/h2-3H,4-8H2,1H3,(H,12,15)
InChIKeyKTTXTQUFBDOZSW-UHFFFAOYSA-N
XLogP0.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
The IUPAC name of 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one (CID 139371515) is 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one.
What is the SMILES notation for 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
The canonical SMILES for 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one is CC(=O)N1CCCC12CC=CCNC2=O.
What is the InChIKey of 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
The InChIKey is KTTXTQUFBDOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(14)13-8-4-6-11(13)5-2-3-7-12-10(11)15/h2-3H,4-8H2,1H3,(H,12,15).
What are the key properties of 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one has a molecular weight of 208.26 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one is sourced from PubChem (CID 139371515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).