2-(ethoxyamino)-1-pyrrolidin-1-ylethanone

C8H16N2O2 — CID 60702745

IUPAC2-(ethoxyamino)-1-pyrrolidin-1-ylethanone
SMILESCCONCC(=O)N1CCCC1
InChIInChI=1S/C8H16N2O2/c1-2-12-9-7-8(11)10-5-3-4-6-10/h9H,2-7H2,1H3
InChIKeyOBNDOPKTNJGRNF-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.15
Rot. Bonds4

About 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone

2-(ethoxyamino)-1-pyrrolidin-1-ylethanone (PubChem CID 60702745) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(ethoxyamino)-1-pyrrolidin-1-ylethanone
PubChem CID60702745
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(ethoxyamino)-1-pyrrolidin-1-ylethanone
SMILESCCONCC(=O)N1CCCC1
InChIInChI=1S/C8H16N2O2/c1-2-12-9-7-8(11)10-5-3-4-6-10/h9H,2-7H2,1H3
InChIKeyOBNDOPKTNJGRNF-UHFFFAOYSA-N
XLogP0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone (CID 60702745) is 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone is CCONCC(=O)N1CCCC1.
What is the InChIKey of 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is OBNDOPKTNJGRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-12-9-7-8(11)10-5-3-4-6-10/h9H,2-7H2,1H3.
What are the key properties of 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone?
2-(ethoxyamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 172.23 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxyamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 60702745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).