(3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone

C9H17N3O2 — CID 67411146

IUPAC(3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone
SMILESNC1CCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C9H17N3O2/c10-8-1-2-12(7-8)9(13)11-3-5-14-6-4-11/h8H,1-7,10H2
InChIKeyAUGYGBFFMFYWTO-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.53
Rot. Bonds

About (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone

(3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone (PubChem CID 67411146) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone
PubChem CID67411146
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone
SMILESNC1CCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C9H17N3O2/c10-8-1-2-12(7-8)9(13)11-3-5-14-6-4-11/h8H,1-7,10H2
InChIKeyAUGYGBFFMFYWTO-UHFFFAOYSA-N
XLogP-0.53
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone (CID 67411146) is (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone is NC1CCN(C(=O)N2CCOCC2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone?
The InChIKey is AUGYGBFFMFYWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-8-1-2-12(7-8)9(13)11-3-5-14-6-4-11/h8H,1-7,10H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone?
(3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone has a molecular weight of 199.25 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 67411146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).