4-amino-1-(oxan-4-yl)pyrrolidin-2-one

C9H16N2O2 — CID 43610578

IUPAC4-amino-1-(oxan-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C9H16N2O2/c10-7-5-9(12)11(6-7)8-1-3-13-4-2-8/h7-8H,1-6,10H2
InChIKeyWWLDUEIBKNWXGF-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.28
Rot. Bonds1

About 4-amino-1-(oxan-4-yl)pyrrolidin-2-one

4-amino-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 43610578) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-amino-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID43610578
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-amino-1-(oxan-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C9H16N2O2/c10-7-5-9(12)11(6-7)8-1-3-13-4-2-8/h7-8H,1-6,10H2
InChIKeyWWLDUEIBKNWXGF-UHFFFAOYSA-N
XLogP-0.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(oxan-4-yl)pyrrolidin-2-one (CID 43610578) is 4-amino-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(oxan-4-yl)pyrrolidin-2-one is NC1CC(=O)N(C2CCOCC2)C1.
What is the InChIKey of 4-amino-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is WWLDUEIBKNWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-7-5-9(12)11(6-7)8-1-3-13-4-2-8/h7-8H,1-6,10H2.
What are the key properties of 4-amino-1-(oxan-4-yl)pyrrolidin-2-one?
4-amino-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 43610578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).