(3Z)-3-pentylideneazetidin-2-one

C8H13NO — CID 55298757

IUPAC(3Z)-3-pentylideneazetidin-2-one
SMILESCCCC/C=C1/CNC1=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-7-6-9-8(7)10/h5H,2-4,6H2,1H3,(H,9,10)/b7-5-
InChIKeyWLLZIVPOFHGLKB-ALCCZGGFSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds3

About (3Z)-3-pentylideneazetidin-2-one

(3Z)-3-pentylideneazetidin-2-one (PubChem CID 55298757) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z)-3-pentylideneazetidin-2-one.

Molecular Properties

Compound Name(3Z)-3-pentylideneazetidin-2-one
PubChem CID55298757
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z)-3-pentylideneazetidin-2-one
SMILESCCCC/C=C1/CNC1=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-7-6-9-8(7)10/h5H,2-4,6H2,1H3,(H,9,10)/b7-5-
InChIKeyWLLZIVPOFHGLKB-ALCCZGGFSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
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 (3Z)-3-pentylideneazetidin-2-one?
The IUPAC name of (3Z)-3-pentylideneazetidin-2-one (CID 55298757) is (3Z)-3-pentylideneazetidin-2-one.
What is the SMILES notation for (3Z)-3-pentylideneazetidin-2-one?
The canonical SMILES for (3Z)-3-pentylideneazetidin-2-one is CCCC/C=C1/CNC1=O.
What is the InChIKey of (3Z)-3-pentylideneazetidin-2-one?
The InChIKey is WLLZIVPOFHGLKB-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-5-7-6-9-8(7)10/h5H,2-4,6H2,1H3,(H,9,10)/b7-5-.
What are the key properties of (3Z)-3-pentylideneazetidin-2-one?
(3Z)-3-pentylideneazetidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-pentylideneazetidin-2-one is sourced from PubChem (CID 55298757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).