3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one

C9H16N2O2 — CID 115457120

IUPAC3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one
SMILESNC1CCN(CC2(CO)CC2)C1=O
InChIInChI=1S/C9H16N2O2/c10-7-1-4-11(8(7)13)5-9(6-12)2-3-9/h7,12H,1-6,10H2
InChIKeyKRGRRPDRHHYLDE-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.68
Rot. Bonds3

About 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one

3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one (PubChem CID 115457120) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one
PubChem CID115457120
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one
SMILESNC1CCN(CC2(CO)CC2)C1=O
InChIInChI=1S/C9H16N2O2/c10-7-1-4-11(8(7)13)5-9(6-12)2-3-9/h7,12H,1-6,10H2
InChIKeyKRGRRPDRHHYLDE-UHFFFAOYSA-N
XLogP-0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one (CID 115457120) is 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one is NC1CCN(CC2(CO)CC2)C1=O.
What is the InChIKey of 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one?
The InChIKey is KRGRRPDRHHYLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-7-1-4-11(8(7)13)5-9(6-12)2-3-9/h7,12H,1-6,10H2.
What are the key properties of 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one?
3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 115457120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).