(3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone

C9H16N2O2 — CID 62068881

IUPAC(3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone
SMILESNC1CCN(C(=O)C2CCOC2)C1
InChIInChI=1S/C9H16N2O2/c10-8-1-3-11(5-8)9(12)7-2-4-13-6-7/h7-8H,1-6,10H2
InChIKeyONYYFEMFLNTJEZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.42
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone

(3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone (PubChem CID 62068881) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone
PubChem CID62068881
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone
SMILESNC1CCN(C(=O)C2CCOC2)C1
InChIInChI=1S/C9H16N2O2/c10-8-1-3-11(5-8)9(12)7-2-4-13-6-7/h7-8H,1-6,10H2
InChIKeyONYYFEMFLNTJEZ-UHFFFAOYSA-N
XLogP-0.42
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 ≤ 5-0.42
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)-(oxolan-3-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone (CID 62068881) is (3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone is NC1CCN(C(=O)C2CCOC2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone?
The InChIKey is ONYYFEMFLNTJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-8-1-3-11(5-8)9(12)7-2-4-13-6-7/h7-8H,1-6,10H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone?
(3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone has a molecular weight of 184.24 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 62068881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).