(Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one

C13H23N3O — CID 134293260

IUPAC(Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one
SMILESCN(C)C/C=C\C(=O)N1CC2(CCN(C)C2)C1
InChIInChI=1S/C13H23N3O/c1-14(2)7-4-5-12(17)16-10-13(11-16)6-8-15(3)9-13/h4-5H,6-11H2,1-3H3/b5-4-
InChIKeyVOIMJUFINLICLB-PLNGDYQASA-N
MW237.35 g/mol
LogP0.27
Rot. Bonds3

About (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one

(Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one (PubChem CID 134293260) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one.

Molecular Properties

Compound Name(Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one
PubChem CID134293260
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one
SMILESCN(C)C/C=C\C(=O)N1CC2(CCN(C)C2)C1
InChIInChI=1S/C13H23N3O/c1-14(2)7-4-5-12(17)16-10-13(11-16)6-8-15(3)9-13/h4-5H,6-11H2,1-3H3/b5-4-
InChIKeyVOIMJUFINLICLB-PLNGDYQASA-N
XLogP0.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one?
The IUPAC name of (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one (CID 134293260) is (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one.
What is the SMILES notation for (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one?
The canonical SMILES for (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one is CN(C)C/C=C\C(=O)N1CC2(CCN(C)C2)C1.
What is the InChIKey of (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one?
The InChIKey is VOIMJUFINLICLB-PLNGDYQASA-N. The full InChI is InChI=1S/C13H23N3O/c1-14(2)7-4-5-12(17)16-10-13(11-16)6-8-15(3)9-13/h4-5H,6-11H2,1-3H3/b5-4-.
What are the key properties of (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one?
(Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one has a molecular weight of 237.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(dimethylamino)-1-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one is sourced from PubChem (CID 134293260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).