3-methylidene-1-propylpiperidin-2-one

C9H15NO — CID 53387962

IUPAC3-methylidene-1-propylpiperidin-2-one
SMILESC=C1CCCN(CCC)C1=O
InChIInChI=1S/C9H15NO/c1-3-6-10-7-4-5-8(2)9(10)11/h2-7H2,1H3
InChIKeyUWXCPYLAKVZXIY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds2

About 3-methylidene-1-propylpiperidin-2-one

3-methylidene-1-propylpiperidin-2-one (PubChem CID 53387962) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methylidene-1-propylpiperidin-2-one.

Molecular Properties

Compound Name3-methylidene-1-propylpiperidin-2-one
PubChem CID53387962
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methylidene-1-propylpiperidin-2-one
SMILESC=C1CCCN(CCC)C1=O
InChIInChI=1S/C9H15NO/c1-3-6-10-7-4-5-8(2)9(10)11/h2-7H2,1H3
InChIKeyUWXCPYLAKVZXIY-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
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 3-methylidene-1-propylpiperidin-2-one?
The IUPAC name of 3-methylidene-1-propylpiperidin-2-one (CID 53387962) is 3-methylidene-1-propylpiperidin-2-one.
What is the SMILES notation for 3-methylidene-1-propylpiperidin-2-one?
The canonical SMILES for 3-methylidene-1-propylpiperidin-2-one is C=C1CCCN(CCC)C1=O.
What is the InChIKey of 3-methylidene-1-propylpiperidin-2-one?
The InChIKey is UWXCPYLAKVZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-6-10-7-4-5-8(2)9(10)11/h2-7H2,1H3.
What are the key properties of 3-methylidene-1-propylpiperidin-2-one?
3-methylidene-1-propylpiperidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-propylpiperidin-2-one is sourced from PubChem (CID 53387962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).