1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane

C11H20N2O — CID 176701757

IUPAC1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
SMILESC=CC(=O)N1CCC2(CNC2)C1.CC
InChIInChI=1S/C9H14N2O.C2H6/c1-2-8(12)11-4-3-9(7-11)5-10-6-9;1-2/h2,10H,1,3-7H2;1-2H3
InChIKeyMHQNQZKKGNDEAD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.02
Rot. Bonds1

About 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane

1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane (PubChem CID 176701757) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane.

Molecular Properties

Compound Name1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
PubChem CID176701757
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
SMILESC=CC(=O)N1CCC2(CNC2)C1.CC
InChIInChI=1S/C9H14N2O.C2H6/c1-2-8(12)11-4-3-9(7-11)5-10-6-9;1-2/h2,10H,1,3-7H2;1-2H3
InChIKeyMHQNQZKKGNDEAD-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane 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

2-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-enal
CID 176910983
1-[(3S)-3-amino-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 144855598
1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane
CID 167457745
CID 169213217
CID 169213217
ethane;1-[4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 178147929
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 97392820
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
1-(3-methoxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 107390999
4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one
CID 175432940
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid
CID 53484576
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
CID 169493333

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane?
The IUPAC name of 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane (CID 176701757) is 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane.
What is the SMILES notation for 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane?
The canonical SMILES for 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane is C=CC(=O)N1CCC2(CNC2)C1.CC.
What is the InChIKey of 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane?
The InChIKey is MHQNQZKKGNDEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-2-8(12)11-4-3-9(7-11)5-10-6-9;1-2/h2,10H,1,3-7H2;1-2H3.
What are the key properties of 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane?
1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane has a molecular weight of 196.29 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane is sourced from PubChem (CID 176701757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).