1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one

C13H22N2O — CID 139371700

IUPAC1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCC(C)CN1CCCC12CC=CCNC2=O
InChIInChI=1S/C13H22N2O/c1-11(2)10-15-9-5-7-13(15)6-3-4-8-14-12(13)16/h3-4,11H,5-10H2,1-2H3,(H,14,16)
InChIKeySSNOPSBAGAFUFV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.55
Rot. Bonds2

About 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one

1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one (PubChem CID 139371700) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
PubChem CID139371700
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCC(C)CN1CCCC12CC=CCNC2=O
InChIInChI=1S/C13H22N2O/c1-11(2)10-15-9-5-7-13(15)6-3-4-8-14-12(13)16/h3-4,11H,5-10H2,1-2H3,(H,14,16)
InChIKeySSNOPSBAGAFUFV-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459653
N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354462
(2R)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354463
N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-pentan-3-ylacetamide
CID 4612203
1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459652
Tert-butyl 3,3-difluoro-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371742
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
(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
CID 156837616
(1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide
CID 132524255

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one?
The IUPAC name of 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one (CID 139371700) is 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one.
What is the SMILES notation for 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one?
The canonical SMILES for 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one is CC(C)CN1CCCC12CC=CCNC2=O.
What is the InChIKey of 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one?
The InChIKey is SSNOPSBAGAFUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)10-15-9-5-7-13(15)6-3-4-8-14-12(13)16/h3-4,11H,5-10H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one?
1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one has a molecular weight of 222.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one is sourced from PubChem (CID 139371700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).