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

C15H27N3O — CID 134293215

IUPAC(Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one
SMILESCC(C)N1CCC2(CN(C(=O)/C=C\CN(C)C)C2)C1
InChIInChI=1S/C15H27N3O/c1-13(2)17-9-7-15(10-17)11-18(12-15)14(19)6-5-8-16(3)4/h5-6,13H,7-12H2,1-4H3/b6-5-
InChIKeyCFVVULHERICFGC-WAYWQWQTSA-N
MW265.40 g/mol
LogP1.05
Rot. Bonds4

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

(Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one (PubChem CID 134293215) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one.

Molecular Properties

Compound Name(Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one
PubChem CID134293215
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one
SMILESCC(C)N1CCC2(CN(C(=O)/C=C\CN(C)C)C2)C1
InChIInChI=1S/C15H27N3O/c1-13(2)17-9-7-15(10-17)11-18(12-15)14(19)6-5-8-16(3)4/h5-6,13H,7-12H2,1-4H3/b6-5-
InChIKeyCFVVULHERICFGC-WAYWQWQTSA-N
XLogP1.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.05
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-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one?
The IUPAC name of (Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one (CID 134293215) is (Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one.
What is the SMILES notation for (Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one?
The canonical SMILES for (Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one is CC(C)N1CCC2(CN(C(=O)/C=C\CN(C)C)C2)C1.
What is the InChIKey of (Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one?
The InChIKey is CFVVULHERICFGC-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(2)17-9-7-15(10-17)11-18(12-15)14(19)6-5-8-16(3)4/h5-6,13H,7-12H2,1-4H3/b6-5-.
What are the key properties of (Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one?
(Z)-4-(dimethylamino)-1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one has a molecular weight of 265.40 g/mol, XLogP of 1.05, 4 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-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)but-2-en-1-one is sourced from PubChem (CID 134293215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).