1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one

C12H20N2O2 — CID 97392820

IUPAC1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC2(CCN(CCOC)C2)C1
InChIInChI=1S/C12H20N2O2/c1-3-11(15)14-9-12(10-14)4-5-13(8-12)6-7-16-2/h3H,1,4-10H2,2H3
InChIKeyMOJOYGFCKUBLDR-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.35
Rot. Bonds4

About 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one

1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one (PubChem CID 97392820) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
PubChem CID97392820
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC2(CCN(CCOC)C2)C1
InChIInChI=1S/C12H20N2O2/c1-3-11(15)14-9-12(10-14)4-5-13(8-12)6-7-16-2/h3H,1,4-10H2,2H3
InChIKeyMOJOYGFCKUBLDR-UHFFFAOYSA-N
XLogP0.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one with MolForge

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Related Compounds

ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
CID 142009512
9-(2-methoxyethyl)-2-[(E)-2-methylbut-2-enyl]-2,9-diazaspiro[4.5]decane
CID 74229840
1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
CID 176701757
2-(2-methoxyethyl)-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156546425
[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylindol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155869745
2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate
CID 159707126
1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
1-(3-methoxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 107390999
[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97385388
2-[2-(2-methoxyethoxy)ethyl]-2,7-diazaspiro[4.4]nonane
CID 82038602
2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate
CID 18934215
[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridin-2-ylmethanone
CID 97472032

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one?
The IUPAC name of 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one (CID 97392820) is 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one?
The canonical SMILES for 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one is C=CC(=O)N1CC2(CCN(CCOC)C2)C1.
What is the InChIKey of 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one?
The InChIKey is MOJOYGFCKUBLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-11(15)14-9-12(10-14)4-5-13(8-12)6-7-16-2/h3H,1,4-10H2,2H3.
What are the key properties of 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one?
1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 97392820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).