3-amino-3-ethyl-5-propyloxolan-2-one

C9H17NO2 — CID 145185605

IUPAC3-amino-3-ethyl-5-propyloxolan-2-one
SMILESCCCC1CC(N)(CC)C(=O)O1
InChIInChI=1S/C9H17NO2/c1-3-5-7-6-9(10,4-2)8(11)12-7/h7H,3-6,10H2,1-2H3
InChIKeyFAYJRMBINDAPSQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds3

About 3-amino-3-ethyl-5-propyloxolan-2-one

3-amino-3-ethyl-5-propyloxolan-2-one (PubChem CID 145185605) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-3-ethyl-5-propyloxolan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-5-propyloxolan-2-one
PubChem CID145185605
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-amino-3-ethyl-5-propyloxolan-2-one
SMILESCCCC1CC(N)(CC)C(=O)O1
InChIInChI=1S/C9H17NO2/c1-3-5-7-6-9(10,4-2)8(11)12-7/h7H,3-6,10H2,1-2H3
InChIKeyFAYJRMBINDAPSQ-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-5-propyloxolan-2-one?
The IUPAC name of 3-amino-3-ethyl-5-propyloxolan-2-one (CID 145185605) is 3-amino-3-ethyl-5-propyloxolan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-5-propyloxolan-2-one?
The canonical SMILES for 3-amino-3-ethyl-5-propyloxolan-2-one is CCCC1CC(N)(CC)C(=O)O1.
What is the InChIKey of 3-amino-3-ethyl-5-propyloxolan-2-one?
The InChIKey is FAYJRMBINDAPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-7-6-9(10,4-2)8(11)12-7/h7H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-3-ethyl-5-propyloxolan-2-one?
3-amino-3-ethyl-5-propyloxolan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-5-propyloxolan-2-one is sourced from PubChem (CID 145185605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).