(1-acetylpyrrolidin-3-yl)methyl formate

C8H13NO3 — CID 87293161

IUPAC(1-acetylpyrrolidin-3-yl)methyl formate
SMILESCC(=O)N1CCC(COC=O)C1
InChIInChI=1S/C8H13NO3/c1-7(11)9-3-2-8(4-9)5-12-6-10/h6,8H,2-5H2,1H3
InChIKeyNXVUFPJTKINLQH-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.03
Rot. Bonds3

About (1-acetylpyrrolidin-3-yl)methyl formate

(1-acetylpyrrolidin-3-yl)methyl formate (PubChem CID 87293161) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (1-acetylpyrrolidin-3-yl)methyl formate.

Molecular Properties

Compound Name(1-acetylpyrrolidin-3-yl)methyl formate
PubChem CID87293161
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(1-acetylpyrrolidin-3-yl)methyl formate
SMILESCC(=O)N1CCC(COC=O)C1
InChIInChI=1S/C8H13NO3/c1-7(11)9-3-2-8(4-9)5-12-6-10/h6,8H,2-5H2,1H3
InChIKeyNXVUFPJTKINLQH-UHFFFAOYSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-acetylpyrrolidin-3-yl)methyl formate?
The IUPAC name of (1-acetylpyrrolidin-3-yl)methyl formate (CID 87293161) is (1-acetylpyrrolidin-3-yl)methyl formate.
What is the SMILES notation for (1-acetylpyrrolidin-3-yl)methyl formate?
The canonical SMILES for (1-acetylpyrrolidin-3-yl)methyl formate is CC(=O)N1CCC(COC=O)C1.
What is the InChIKey of (1-acetylpyrrolidin-3-yl)methyl formate?
The InChIKey is NXVUFPJTKINLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-7(11)9-3-2-8(4-9)5-12-6-10/h6,8H,2-5H2,1H3.
What are the key properties of (1-acetylpyrrolidin-3-yl)methyl formate?
(1-acetylpyrrolidin-3-yl)methyl formate has a molecular weight of 171.20 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpyrrolidin-3-yl)methyl formate is sourced from PubChem (CID 87293161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).