4-amino-3,3-dipropyloxolan-2-one

C10H19NO2 — CID 18761664

IUPAC4-amino-3,3-dipropyloxolan-2-one
SMILESCCCC1(CCC)C(=O)OCC1N
InChIInChI=1S/C10H19NO2/c1-3-5-10(6-4-2)8(11)7-13-9(10)12/h8H,3-7,11H2,1-2H3
InChIKeyODVNBMIWEGMQQL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds4

About 4-amino-3,3-dipropyloxolan-2-one

4-amino-3,3-dipropyloxolan-2-one (PubChem CID 18761664) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-amino-3,3-dipropyloxolan-2-one.

Molecular Properties

Compound Name4-amino-3,3-dipropyloxolan-2-one
PubChem CID18761664
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-amino-3,3-dipropyloxolan-2-one
SMILESCCCC1(CCC)C(=O)OCC1N
InChIInChI=1S/C10H19NO2/c1-3-5-10(6-4-2)8(11)7-13-9(10)12/h8H,3-7,11H2,1-2H3
InChIKeyODVNBMIWEGMQQL-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dipropyloxolan-2-one?
The IUPAC name of 4-amino-3,3-dipropyloxolan-2-one (CID 18761664) is 4-amino-3,3-dipropyloxolan-2-one.
What is the SMILES notation for 4-amino-3,3-dipropyloxolan-2-one?
The canonical SMILES for 4-amino-3,3-dipropyloxolan-2-one is CCCC1(CCC)C(=O)OCC1N.
What is the InChIKey of 4-amino-3,3-dipropyloxolan-2-one?
The InChIKey is ODVNBMIWEGMQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-10(6-4-2)8(11)7-13-9(10)12/h8H,3-7,11H2,1-2H3.
What are the key properties of 4-amino-3,3-dipropyloxolan-2-one?
4-amino-3,3-dipropyloxolan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dipropyloxolan-2-one is sourced from PubChem (CID 18761664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).