(1-acetylpyrrolidin-2-yl) formate

C7H11NO3 — CID 88555311

IUPAC(1-acetylpyrrolidin-2-yl) formate
SMILESCC(=O)N1CCCC1OC=O
InChIInChI=1S/C7H11NO3/c1-6(10)8-4-2-3-7(8)11-5-9/h5,7H,2-4H2,1H3
InChIKeyAMRHDYLOORUBQZ-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.13
Rot. Bonds2

About (1-acetylpyrrolidin-2-yl) formate

(1-acetylpyrrolidin-2-yl) formate (PubChem CID 88555311) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1-acetylpyrrolidin-2-yl) formate.

Molecular Properties

Compound Name(1-acetylpyrrolidin-2-yl) formate
PubChem CID88555311
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(1-acetylpyrrolidin-2-yl) formate
SMILESCC(=O)N1CCCC1OC=O
InChIInChI=1S/C7H11NO3/c1-6(10)8-4-2-3-7(8)11-5-9/h5,7H,2-4H2,1H3
InChIKeyAMRHDYLOORUBQZ-UHFFFAOYSA-N
XLogP0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.13
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-2-yl) formate?
The IUPAC name of (1-acetylpyrrolidin-2-yl) formate (CID 88555311) is (1-acetylpyrrolidin-2-yl) formate.
What is the SMILES notation for (1-acetylpyrrolidin-2-yl) formate?
The canonical SMILES for (1-acetylpyrrolidin-2-yl) formate is CC(=O)N1CCCC1OC=O.
What is the InChIKey of (1-acetylpyrrolidin-2-yl) formate?
The InChIKey is AMRHDYLOORUBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(10)8-4-2-3-7(8)11-5-9/h5,7H,2-4H2,1H3.
What are the key properties of (1-acetylpyrrolidin-2-yl) formate?
(1-acetylpyrrolidin-2-yl) formate has a molecular weight of 157.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpyrrolidin-2-yl) formate is sourced from PubChem (CID 88555311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).