1-(1-methylpiperidin-3-yl)prop-2-en-1-one

C9H15NO — CID 134240929

IUPAC1-(1-methylpiperidin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CCCN(C)C1
InChIInChI=1S/C9H15NO/c1-3-9(11)8-5-4-6-10(2)7-8/h3,8H,1,4-7H2,2H3
InChIKeyLCZWWOWJRGOABF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.08
Rot. Bonds2

About 1-(1-methylpiperidin-3-yl)prop-2-en-1-one

1-(1-methylpiperidin-3-yl)prop-2-en-1-one (PubChem CID 134240929) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)prop-2-en-1-one
PubChem CID134240929
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(1-methylpiperidin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CCCN(C)C1
InChIInChI=1S/C9H15NO/c1-3-9(11)8-5-4-6-10(2)7-8/h3,8H,1,4-7H2,2H3
InChIKeyLCZWWOWJRGOABF-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(1-methylpiperidin-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(1-methylpiperidin-3-yl)prop-2-en-1-one (CID 134240929) is 1-(1-methylpiperidin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)prop-2-en-1-one is C=CC(=O)C1CCCN(C)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)prop-2-en-1-one?
The InChIKey is LCZWWOWJRGOABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(11)8-5-4-6-10(2)7-8/h3,8H,1,4-7H2,2H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)prop-2-en-1-one?
1-(1-methylpiperidin-3-yl)prop-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 134240929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).