1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one

C8H14N2O2 — CID 71729798

IUPAC1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one
SMILESCCOC1=CC(=O)N(CCN)C1
InChIInChI=1S/C8H14N2O2/c1-2-12-7-5-8(11)10(6-7)4-3-9/h5H,2-4,6,9H2,1H3
InChIKeyCPMYTCVNFHVMKV-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.29
Rot. Bonds4

About 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one

1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one (PubChem CID 71729798) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one
PubChem CID71729798
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one
SMILESCCOC1=CC(=O)N(CCN)C1
InChIInChI=1S/C8H14N2O2/c1-2-12-7-5-8(11)10(6-7)4-3-9/h5H,2-4,6,9H2,1H3
InChIKeyCPMYTCVNFHVMKV-UHFFFAOYSA-N
XLogP-0.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one?
The IUPAC name of 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one (CID 71729798) is 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one is CCOC1=CC(=O)N(CCN)C1.
What is the InChIKey of 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one?
The InChIKey is CPMYTCVNFHVMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-12-7-5-8(11)10(6-7)4-3-9/h5H,2-4,6,9H2,1H3.
What are the key properties of 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one?
1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one has a molecular weight of 170.21 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one is sourced from PubChem (CID 71729798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).