3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one

C9H16N2O2 — CID 115312697

IUPAC3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one
SMILESNCC1CCCN1C1CCOC1=O
InChIInChI=1S/C9H16N2O2/c10-6-7-2-1-4-11(7)8-3-5-13-9(8)12/h7-8H,1-6,10H2
InChIKeyDWXQAEYWTCRNBV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.28
Rot. Bonds2

About 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one

3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one (PubChem CID 115312697) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one
PubChem CID115312697
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one
SMILESNCC1CCCN1C1CCOC1=O
InChIInChI=1S/C9H16N2O2/c10-6-7-2-1-4-11(7)8-3-5-13-9(8)12/h7-8H,1-6,10H2
InChIKeyDWXQAEYWTCRNBV-UHFFFAOYSA-N
XLogP-0.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one (CID 115312697) is 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one is NCC1CCCN1C1CCOC1=O.
What is the InChIKey of 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one?
The InChIKey is DWXQAEYWTCRNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-6-7-2-1-4-11(7)8-3-5-13-9(8)12/h7-8H,1-6,10H2.
What are the key properties of 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one?
3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one is sourced from PubChem (CID 115312697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).