3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one

C7H14N2O2 — CID 19790284

IUPAC3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one
SMILESCCNCC1(O)CCNC1=O
InChIInChI=1S/C7H14N2O2/c1-2-8-5-7(11)3-4-9-6(7)10/h8,11H,2-5H2,1H3,(H,9,10)
InChIKeyISDQBYFOOKVHTI-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.15
Rot. Bonds3

About 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one

3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one (PubChem CID 19790284) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one
PubChem CID19790284
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one
SMILESCCNCC1(O)CCNC1=O
InChIInChI=1S/C7H14N2O2/c1-2-8-5-7(11)3-4-9-6(7)10/h8,11H,2-5H2,1H3,(H,9,10)
InChIKeyISDQBYFOOKVHTI-UHFFFAOYSA-N
XLogP-1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one (CID 19790284) is 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one is CCNCC1(O)CCNC1=O.
What is the InChIKey of 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is ISDQBYFOOKVHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-8-5-7(11)3-4-9-6(7)10/h8,11H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one?
3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 19790284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).