4-heptylazetidin-2-one

C10H19NO — CID 13048243

IUPAC4-heptylazetidin-2-one
SMILESCCCCCCCC1CC(=O)N1
InChIInChI=1S/C10H19NO/c1-2-3-4-5-6-7-9-8-10(12)11-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyHXBGXAZKHLUPNH-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.24
Rot. Bonds6

About 4-heptylazetidin-2-one

4-heptylazetidin-2-one (PubChem CID 13048243) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-heptylazetidin-2-one.

Molecular Properties

Compound Name4-heptylazetidin-2-one
PubChem CID13048243
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-heptylazetidin-2-one
SMILESCCCCCCCC1CC(=O)N1
InChIInChI=1S/C10H19NO/c1-2-3-4-5-6-7-9-8-10(12)11-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyHXBGXAZKHLUPNH-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-heptylazetidin-2-one?
The IUPAC name of 4-heptylazetidin-2-one (CID 13048243) is 4-heptylazetidin-2-one.
What is the SMILES notation for 4-heptylazetidin-2-one?
The canonical SMILES for 4-heptylazetidin-2-one is CCCCCCCC1CC(=O)N1.
What is the InChIKey of 4-heptylazetidin-2-one?
The InChIKey is HXBGXAZKHLUPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-5-6-7-9-8-10(12)11-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of 4-heptylazetidin-2-one?
4-heptylazetidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptylazetidin-2-one is sourced from PubChem (CID 13048243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).