4-amino-5-propyloxolan-3-one;ethane

C9H19NO2 — CID 142239528

IUPAC4-amino-5-propyloxolan-3-one;ethane
SMILESCC.CCCC1OCC(=O)C1N
InChIInChI=1S/C7H13NO2.C2H6/c1-2-3-6-7(8)5(9)4-10-6;1-2/h6-7H,2-4,8H2,1H3;1-2H3
InChIKeyRRTVKQRLWDAGKT-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.11
Rot. Bonds2

About 4-amino-5-propyloxolan-3-one;ethane

4-amino-5-propyloxolan-3-one;ethane (PubChem CID 142239528) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-amino-5-propyloxolan-3-one;ethane.

Molecular Properties

Compound Name4-amino-5-propyloxolan-3-one;ethane
PubChem CID142239528
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-amino-5-propyloxolan-3-one;ethane
SMILESCC.CCCC1OCC(=O)C1N
InChIInChI=1S/C7H13NO2.C2H6/c1-2-3-6-7(8)5(9)4-10-6;1-2/h6-7H,2-4,8H2,1H3;1-2H3
InChIKeyRRTVKQRLWDAGKT-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propyloxolan-3-one;ethane?
The IUPAC name of 4-amino-5-propyloxolan-3-one;ethane (CID 142239528) is 4-amino-5-propyloxolan-3-one;ethane.
What is the SMILES notation for 4-amino-5-propyloxolan-3-one;ethane?
The canonical SMILES for 4-amino-5-propyloxolan-3-one;ethane is CC.CCCC1OCC(=O)C1N.
What is the InChIKey of 4-amino-5-propyloxolan-3-one;ethane?
The InChIKey is RRTVKQRLWDAGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-2-3-6-7(8)5(9)4-10-6;1-2/h6-7H,2-4,8H2,1H3;1-2H3.
What are the key properties of 4-amino-5-propyloxolan-3-one;ethane?
4-amino-5-propyloxolan-3-one;ethane has a molecular weight of 173.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propyloxolan-3-one;ethane is sourced from PubChem (CID 142239528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).