(3E)-3-ethylidene-1-methylpiperidin-2-one

C8H13NO — CID 14785615

IUPAC(3E)-3-ethylidene-1-methylpiperidin-2-one
SMILESC/C=C1\CCCN(C)C1=O
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6-9(2)8(7)10/h3H,4-6H2,1-2H3/b7-3+
InChIKeyKBJWFFONEJBZJU-XVNBXDOJSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds

About (3E)-3-ethylidene-1-methylpiperidin-2-one

(3E)-3-ethylidene-1-methylpiperidin-2-one (PubChem CID 14785615) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E)-3-ethylidene-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(3E)-3-ethylidene-1-methylpiperidin-2-one
PubChem CID14785615
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E)-3-ethylidene-1-methylpiperidin-2-one
SMILESC/C=C1\CCCN(C)C1=O
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6-9(2)8(7)10/h3H,4-6H2,1-2H3/b7-3+
InChIKeyKBJWFFONEJBZJU-XVNBXDOJSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3E)-3-ethylidene-1-methylpiperidin-2-one?
The IUPAC name of (3E)-3-ethylidene-1-methylpiperidin-2-one (CID 14785615) is (3E)-3-ethylidene-1-methylpiperidin-2-one.
What is the SMILES notation for (3E)-3-ethylidene-1-methylpiperidin-2-one?
The canonical SMILES for (3E)-3-ethylidene-1-methylpiperidin-2-one is C/C=C1\CCCN(C)C1=O.
What is the InChIKey of (3E)-3-ethylidene-1-methylpiperidin-2-one?
The InChIKey is KBJWFFONEJBZJU-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-5-4-6-9(2)8(7)10/h3H,4-6H2,1-2H3/b7-3+.
What are the key properties of (3E)-3-ethylidene-1-methylpiperidin-2-one?
(3E)-3-ethylidene-1-methylpiperidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-1-methylpiperidin-2-one is sourced from PubChem (CID 14785615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).