3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one

C10H18N2O3 — CID 91412316

IUPAC3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one
SMILESCOCCN(CCOC)C1=CC(=O)NC1
InChIInChI=1S/C10H18N2O3/c1-14-5-3-12(4-6-15-2)9-7-10(13)11-8-9/h7H,3-6,8H2,1-2H3,(H,11,13)
InChIKeyXIOGFADVKGFEAB-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.41
Rot. Bonds7

About 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one

3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one (PubChem CID 91412316) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one
PubChem CID91412316
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one
SMILESCOCCN(CCOC)C1=CC(=O)NC1
InChIInChI=1S/C10H18N2O3/c1-14-5-3-12(4-6-15-2)9-7-10(13)11-8-9/h7H,3-6,8H2,1-2H3,(H,11,13)
InChIKeyXIOGFADVKGFEAB-UHFFFAOYSA-N
XLogP-0.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one (CID 91412316) is 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one is COCCN(CCOC)C1=CC(=O)NC1.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one?
The InChIKey is XIOGFADVKGFEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-14-5-3-12(4-6-15-2)9-7-10(13)11-8-9/h7H,3-6,8H2,1-2H3,(H,11,13).
What are the key properties of 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one?
3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one has a molecular weight of 214.26 g/mol, XLogP of -0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 91412316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).