bis(2-aminoethanol);1-methylpyrrolidin-2-one

C9H23N3O3 — CID 21281705

IUPACbis(2-aminoethanol);1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.NCCO.NCCO
InChIInChI=1S/C5H9NO.2C2H7NO/c1-6-4-2-3-5(6)7;2*3-1-2-4/h2-4H2,1H3;2*4H,1-3H2
InChIKeyDUMXHRKYWCMVCE-UHFFFAOYSA-N
MW221.30 g/mol
LogP-1.89
Rot. Bonds2

About bis(2-aminoethanol);1-methylpyrrolidin-2-one

bis(2-aminoethanol);1-methylpyrrolidin-2-one (PubChem CID 21281705) has the molecular formula C9H23N3O3 and a molecular weight of 221.30 g/mol. Its IUPAC name is bis(2-aminoethanol);1-methylpyrrolidin-2-one.

Molecular Properties

Compound Namebis(2-aminoethanol);1-methylpyrrolidin-2-one
PubChem CID21281705
Molecular FormulaC9H23N3O3
Molecular Weight221.30 g/mol
Exact Mass221.17
IUPAC Namebis(2-aminoethanol);1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.NCCO.NCCO
InChIInChI=1S/C5H9NO.2C2H7NO/c1-6-4-2-3-5(6)7;2*3-1-2-4/h2-4H2,1H3;2*4H,1-3H2
InChIKeyDUMXHRKYWCMVCE-UHFFFAOYSA-N
XLogP-1.89
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethanol);1-methylpyrrolidin-2-one?
The IUPAC name of bis(2-aminoethanol);1-methylpyrrolidin-2-one (CID 21281705) is bis(2-aminoethanol);1-methylpyrrolidin-2-one.
What is the SMILES notation for bis(2-aminoethanol);1-methylpyrrolidin-2-one?
The canonical SMILES for bis(2-aminoethanol);1-methylpyrrolidin-2-one is CN1CCCC1=O.NCCO.NCCO.
What is the InChIKey of bis(2-aminoethanol);1-methylpyrrolidin-2-one?
The InChIKey is DUMXHRKYWCMVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.2C2H7NO/c1-6-4-2-3-5(6)7;2*3-1-2-4/h2-4H2,1H3;2*4H,1-3H2.
What are the key properties of bis(2-aminoethanol);1-methylpyrrolidin-2-one?
bis(2-aminoethanol);1-methylpyrrolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of -1.89, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethanol);1-methylpyrrolidin-2-one is sourced from PubChem (CID 21281705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).