(Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one

C12H19NO — CID 88898736

IUPAC(Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one
SMILESC=C(/C=C\C)C(=O)C1CCN(C)CC1
InChIInChI=1S/C12H19NO/c1-4-5-10(2)12(14)11-6-8-13(3)9-7-11/h4-5,11H,2,6-9H2,1,3H3/b5-4-
InChIKeyUHDFXNVEOIWENC-PLNGDYQASA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds3

About (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one

(Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one (PubChem CID 88898736) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one.

Molecular Properties

Compound Name(Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one
PubChem CID88898736
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one
SMILESC=C(/C=C\C)C(=O)C1CCN(C)CC1
InChIInChI=1S/C12H19NO/c1-4-5-10(2)12(14)11-6-8-13(3)9-7-11/h4-5,11H,2,6-9H2,1,3H3/b5-4-
InChIKeyUHDFXNVEOIWENC-PLNGDYQASA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one?
The IUPAC name of (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one (CID 88898736) is (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one.
What is the SMILES notation for (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one?
The canonical SMILES for (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one is C=C(/C=C\C)C(=O)C1CCN(C)CC1.
What is the InChIKey of (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one?
The InChIKey is UHDFXNVEOIWENC-PLNGDYQASA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-10(2)12(14)11-6-8-13(3)9-7-11/h4-5,11H,2,6-9H2,1,3H3/b5-4-.
What are the key properties of (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one?
(Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylidene-1-(1-methylpiperidin-4-yl)pent-3-en-1-one is sourced from PubChem (CID 88898736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).