2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone

C12H22N2O2 — CID 64572447

IUPAC2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone
SMILESNC1(COCC(=O)N2CCCC2)CCCC1
InChIInChI=1S/C12H22N2O2/c13-12(5-1-2-6-12)10-16-9-11(15)14-7-3-4-8-14/h1-10,13H2
InChIKeyKOTUZYJWSBFEJE-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.90
Rot. Bonds4

About 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone

2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 64572447) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID64572447
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone
SMILESNC1(COCC(=O)N2CCCC2)CCCC1
InChIInChI=1S/C12H22N2O2/c13-12(5-1-2-6-12)10-16-9-11(15)14-7-3-4-8-14/h1-10,13H2
InChIKeyKOTUZYJWSBFEJE-UHFFFAOYSA-N
XLogP0.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone (CID 64572447) is 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone is NC1(COCC(=O)N2CCCC2)CCCC1.
What is the InChIKey of 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is KOTUZYJWSBFEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-12(5-1-2-6-12)10-16-9-11(15)14-7-3-4-8-14/h1-10,13H2.
What are the key properties of 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone?
2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopentyl)methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 64572447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).