1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one

C14H22N2O2 — CID 139384076

IUPAC1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCC(C)CC(=O)N1CCCC12CC=CCNC2=O
InChIInChI=1S/C14H22N2O2/c1-11(2)10-12(17)16-9-5-7-14(16)6-3-4-8-15-13(14)18/h3-4,11H,5-10H2,1-2H3,(H,15,18)
InChIKeyGLWWNIDNGUPVFE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.47
Rot. Bonds2

About 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one

1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one (PubChem CID 139384076) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one.

Molecular Properties

Compound Name1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
PubChem CID139384076
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCC(C)CC(=O)N1CCCC12CC=CCNC2=O
InChIInChI=1S/C14H22N2O2/c1-11(2)10-12(17)16-9-5-7-14(16)6-3-4-8-15-13(14)18/h3-4,11H,5-10H2,1-2H3,(H,15,18)
InChIKeyGLWWNIDNGUPVFE-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459653
(2S)-2-[[(2S)-2-[(3R)-3-[[(E)-3-cycloheptylprop-2-enyl]amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44307101
methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate
CID 159095862
N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(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
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
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-(3-methylbutyl)acetamide
CID 3557694
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-pentan-3-ylacetamide
CID 4612203
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CID 22429072

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one?
The IUPAC name of 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one (CID 139384076) is 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one.
What is the SMILES notation for 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one?
The canonical SMILES for 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one is CC(C)CC(=O)N1CCCC12CC=CCNC2=O.
What is the InChIKey of 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one?
The InChIKey is GLWWNIDNGUPVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)10-12(17)16-9-5-7-14(16)6-3-4-8-15-13(14)18/h3-4,11H,5-10H2,1-2H3,(H,15,18).
What are the key properties of 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one?
1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one has a molecular weight of 250.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one is sourced from PubChem (CID 139384076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).