1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one

C15H23NO — CID 171535768

IUPAC1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCC2(CC=C(C)CC2)CC1C
InChIInChI=1S/C15H23NO/c1-4-14(17)16-10-9-15(11-13(16)3)7-5-12(2)6-8-15/h4-5,13H,1,6-11H2,2-3H3
InChIKeyUQTRUNWTWADDKE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.30
Rot. Bonds1

About 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one

1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one (PubChem CID 171535768) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one
PubChem CID171535768
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCC2(CC=C(C)CC2)CC1C
InChIInChI=1S/C15H23NO/c1-4-14(17)16-10-9-15(11-13(16)3)7-5-12(2)6-8-15/h4-5,13H,1,6-11H2,2-3H3
InChIKeyUQTRUNWTWADDKE-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-[(2S,5R)-2,5-dimethylpiperidin-1-yl]prop-2-en-1-one;ethane
CID 161369093
tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate
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1-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
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1-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 76962993
1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
CID 176701757

Frequently Asked Questions

What is the IUPAC name of 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one (CID 171535768) is 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one is C=CC(=O)N1CCC2(CC=C(C)CC2)CC1C.
What is the InChIKey of 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one?
The InChIKey is UQTRUNWTWADDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14(17)16-10-9-15(11-13(16)3)7-5-12(2)6-8-15/h4-5,13H,1,6-11H2,2-3H3.
What are the key properties of 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one?
1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,9-dimethyl-3-azaspiro[5.5]undec-9-en-3-yl)prop-2-en-1-one is sourced from PubChem (CID 171535768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).