1-(1-aminocyclopropyl)-2-ethoxyethanone

C7H13NO2 — CID 116576486

IUPAC1-(1-aminocyclopropyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1(N)CC1
InChIInChI=1S/C7H13NO2/c1-2-10-5-6(9)7(8)3-4-7/h2-5,8H2,1H3
InChIKeyBHBMYXDQTZAUFH-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.08
Rot. Bonds4

About 1-(1-aminocyclopropyl)-2-ethoxyethanone

1-(1-aminocyclopropyl)-2-ethoxyethanone (PubChem CID 116576486) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-2-ethoxyethanone
PubChem CID116576486
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(1-aminocyclopropyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1(N)CC1
InChIInChI=1S/C7H13NO2/c1-2-10-5-6(9)7(8)3-4-7/h2-5,8H2,1H3
InChIKeyBHBMYXDQTZAUFH-UHFFFAOYSA-N
XLogP0.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-2-ethoxyethanone?
The IUPAC name of 1-(1-aminocyclopropyl)-2-ethoxyethanone (CID 116576486) is 1-(1-aminocyclopropyl)-2-ethoxyethanone.
What is the SMILES notation for 1-(1-aminocyclopropyl)-2-ethoxyethanone?
The canonical SMILES for 1-(1-aminocyclopropyl)-2-ethoxyethanone is CCOCC(=O)C1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-2-ethoxyethanone?
The InChIKey is BHBMYXDQTZAUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-5-6(9)7(8)3-4-7/h2-5,8H2,1H3.
What are the key properties of 1-(1-aminocyclopropyl)-2-ethoxyethanone?
1-(1-aminocyclopropyl)-2-ethoxyethanone has a molecular weight of 143.19 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-2-ethoxyethanone is sourced from PubChem (CID 116576486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).