4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one

C8H13N3O3 — CID 168658949

IUPAC4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
SMILESNCC1CC(=O)N(C2CONC2=O)C1
InChIInChI=1S/C8H13N3O3/c9-2-5-1-7(12)11(3-5)6-4-14-10-8(6)13/h5-6H,1-4,9H2,(H,10,13)
InChIKeyQKBVXVAEMKSESE-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.78
Rot. Bonds2

About 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one

4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one (PubChem CID 168658949) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
PubChem CID168658949
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
SMILESNCC1CC(=O)N(C2CONC2=O)C1
InChIInChI=1S/C8H13N3O3/c9-2-5-1-7(12)11(3-5)6-4-14-10-8(6)13/h5-6H,1-4,9H2,(H,10,13)
InChIKeyQKBVXVAEMKSESE-UHFFFAOYSA-N
XLogP-1.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one (CID 168658949) is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one is NCC1CC(=O)N(C2CONC2=O)C1.
What is the InChIKey of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
The InChIKey is QKBVXVAEMKSESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-2-5-1-7(12)11(3-5)6-4-14-10-8(6)13/h5-6H,1-4,9H2,(H,10,13).
What are the key properties of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one has a molecular weight of 199.21 g/mol, XLogP of -1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 168658949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).