4-propyliminooxolan-2-one

C7H11NO2 — CID 91052829

IUPAC4-propyliminooxolan-2-one
SMILESCCC/N=C1\COC(=O)C1
InChIInChI=1S/C7H11NO2/c1-2-3-8-6-4-7(9)10-5-6/h2-5H2,1H3/b8-6-
InChIKeyKGSAVLZNRZXYOC-VURMDHGXSA-N
MW141.17 g/mol
LogP0.78
Rot. Bonds2

About 4-propyliminooxolan-2-one

4-propyliminooxolan-2-one (PubChem CID 91052829) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-propyliminooxolan-2-one.

Molecular Properties

Compound Name4-propyliminooxolan-2-one
PubChem CID91052829
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-propyliminooxolan-2-one
SMILESCCC/N=C1\COC(=O)C1
InChIInChI=1S/C7H11NO2/c1-2-3-8-6-4-7(9)10-5-6/h2-5H2,1H3/b8-6-
InChIKeyKGSAVLZNRZXYOC-VURMDHGXSA-N
XLogP0.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propyliminooxolan-2-one?
The IUPAC name of 4-propyliminooxolan-2-one (CID 91052829) is 4-propyliminooxolan-2-one.
What is the SMILES notation for 4-propyliminooxolan-2-one?
The canonical SMILES for 4-propyliminooxolan-2-one is CCC/N=C1\COC(=O)C1.
What is the InChIKey of 4-propyliminooxolan-2-one?
The InChIKey is KGSAVLZNRZXYOC-VURMDHGXSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-8-6-4-7(9)10-5-6/h2-5H2,1H3/b8-6-.
What are the key properties of 4-propyliminooxolan-2-one?
4-propyliminooxolan-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyliminooxolan-2-one is sourced from PubChem (CID 91052829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).