3-(butylamino)oxolan-2-one

C8H15NO2 — CID 43824118

IUPAC3-(butylamino)oxolan-2-one
SMILESCCCCNC1CCOC1=O
InChIInChI=1S/C8H15NO2/c1-2-3-5-9-7-4-6-11-8(7)10/h7,9H,2-6H2,1H3
InChIKeySXSSFQKNBMWUIR-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds4

About 3-(butylamino)oxolan-2-one

3-(butylamino)oxolan-2-one (PubChem CID 43824118) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-(butylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(butylamino)oxolan-2-one
PubChem CID43824118
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-(butylamino)oxolan-2-one
SMILESCCCCNC1CCOC1=O
InChIInChI=1S/C8H15NO2/c1-2-3-5-9-7-4-6-11-8(7)10/h7,9H,2-6H2,1H3
InChIKeySXSSFQKNBMWUIR-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(butylamino)oxolan-2-one?
The IUPAC name of 3-(butylamino)oxolan-2-one (CID 43824118) is 3-(butylamino)oxolan-2-one.
What is the SMILES notation for 3-(butylamino)oxolan-2-one?
The canonical SMILES for 3-(butylamino)oxolan-2-one is CCCCNC1CCOC1=O.
What is the InChIKey of 3-(butylamino)oxolan-2-one?
The InChIKey is SXSSFQKNBMWUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-5-9-7-4-6-11-8(7)10/h7,9H,2-6H2,1H3.
What are the key properties of 3-(butylamino)oxolan-2-one?
3-(butylamino)oxolan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)oxolan-2-one is sourced from PubChem (CID 43824118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).