(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium

C13H22NOY- — CID 59559288

IUPAC(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium
SMILESCCC(C)[CH-]/C=C/C(=O)N1CCCCC1.[Y]
InChIInChI=1S/C13H22NO.Y/c1-3-12(2)8-7-9-13(15)14-10-5-4-6-11-14;/h7-9,12H,3-6,10-11H2,1-2H3;/q-1;/b9-7+;
InChIKeyIMAFCBAGPQPEJQ-BXTVWIJMSA-N
MW297.23 g/mol
LogP2.80
Rot. Bonds4

About (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium

(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium (PubChem CID 59559288) has the molecular formula C13H22NOY- and a molecular weight of 297.23 g/mol. Its IUPAC name is (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium.

Molecular Properties

Compound Name(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium
PubChem CID59559288
Molecular FormulaC13H22NOY-
Molecular Weight297.23 g/mol
Exact Mass297.08
IUPAC Name(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium
SMILESCCC(C)[CH-]/C=C/C(=O)N1CCCCC1.[Y]
InChIInChI=1S/C13H22NO.Y/c1-3-12(2)8-7-9-13(15)14-10-5-4-6-11-14;/h7-9,12H,3-6,10-11H2,1-2H3;/q-1;/b9-7+;
InChIKeyIMAFCBAGPQPEJQ-BXTVWIJMSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium?
The IUPAC name of (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium (CID 59559288) is (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium.
What is the SMILES notation for (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium?
The canonical SMILES for (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium is CCC(C)[CH-]/C=C/C(=O)N1CCCCC1.[Y].
What is the InChIKey of (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium?
The InChIKey is IMAFCBAGPQPEJQ-BXTVWIJMSA-N. The full InChI is InChI=1S/C13H22NO.Y/c1-3-12(2)8-7-9-13(15)14-10-5-4-6-11-14;/h7-9,12H,3-6,10-11H2,1-2H3;/q-1;/b9-7+;.
What are the key properties of (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium?
(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium has a molecular weight of 297.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one;yttrium is sourced from PubChem (CID 59559288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).