1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one

C11H18N2O — CID 165439142

IUPAC1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CC2(CCNCC2)C1
InChIInChI=1S/C11H18N2O/c1-9(2)10(14)13-7-11(8-13)3-5-12-6-4-11/h12H,1,3-8H2,2H3
InChIKeyUHFZTDPBTWESDF-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds1

About 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one

1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one (PubChem CID 165439142) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one
PubChem CID165439142
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CC2(CCNCC2)C1
InChIInChI=1S/C11H18N2O/c1-9(2)10(14)13-7-11(8-13)3-5-12-6-4-11/h12H,1,3-8H2,2H3
InChIKeyUHFZTDPBTWESDF-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-1-one
CID 165439603
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane
CID 178115937
6-(2,9-diazaspiro[5.5]undecan-2-yl)-3-ethylhept-6-en-2-one;ethane;methane
CID 178063045
2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68609636
4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one
CID 166169448
2,7-diazaspiro[3.5]nonan-2-yl(phenyl)methanone;hydrochloride
CID 141390941
ethane;2-methyl-2,7-diazaspiro[3.5]nonane
CID 143448801
1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one
CID 130117794
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one (CID 165439142) is 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)N1CC2(CCNCC2)C1.
What is the InChIKey of 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one?
The InChIKey is UHFZTDPBTWESDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)10(14)13-7-11(8-13)3-5-12-6-4-11/h12H,1,3-8H2,2H3.
What are the key properties of 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one?
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one has a molecular weight of 194.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 165439142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).