(E)-1-piperidin-1-ylnon-2-en-1-one

C14H25NO — CID 12575257

IUPAC(E)-1-piperidin-1-ylnon-2-en-1-one
SMILESCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-8-11-14(16)15-12-9-7-10-13-15/h8,11H,2-7,9-10,12-13H2,1H3/b11-8+
InChIKeyNDASFIBFNBJZNP-DHZHZOJOSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds6

About (E)-1-piperidin-1-ylnon-2-en-1-one

(E)-1-piperidin-1-ylnon-2-en-1-one (PubChem CID 12575257) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (E)-1-piperidin-1-ylnon-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-1-ylnon-2-en-1-one
PubChem CID12575257
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(E)-1-piperidin-1-ylnon-2-en-1-one
SMILESCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-8-11-14(16)15-12-9-7-10-13-15/h8,11H,2-7,9-10,12-13H2,1H3/b11-8+
InChIKeyNDASFIBFNBJZNP-DHZHZOJOSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-1-piperidin-1-ylnon-2-en-1-one?
The IUPAC name of (E)-1-piperidin-1-ylnon-2-en-1-one (CID 12575257) is (E)-1-piperidin-1-ylnon-2-en-1-one.
What is the SMILES notation for (E)-1-piperidin-1-ylnon-2-en-1-one?
The canonical SMILES for (E)-1-piperidin-1-ylnon-2-en-1-one is CCCCCC/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (E)-1-piperidin-1-ylnon-2-en-1-one?
The InChIKey is NDASFIBFNBJZNP-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-5-6-8-11-14(16)15-12-9-7-10-13-15/h8,11H,2-7,9-10,12-13H2,1H3/b11-8+.
What are the key properties of (E)-1-piperidin-1-ylnon-2-en-1-one?
(E)-1-piperidin-1-ylnon-2-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-1-ylnon-2-en-1-one is sourced from PubChem (CID 12575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).