(2-chloropyrrolidin-1-yl) acetate

C6H10ClNO2 — CID 66933195

IUPAC(2-chloropyrrolidin-1-yl) acetate
SMILESCC(=O)ON1CCCC1Cl
InChIInChI=1S/C6H10ClNO2/c1-5(9)10-8-4-2-3-6(8)7/h6H,2-4H2,1H3
InChIKeyLZZBROUUQCMFAC-UHFFFAOYSA-N
MW163.60 g/mol
LogP1.13
Rot. Bonds1

About (2-chloropyrrolidin-1-yl) acetate

(2-chloropyrrolidin-1-yl) acetate (PubChem CID 66933195) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (2-chloropyrrolidin-1-yl) acetate.

Molecular Properties

Compound Name(2-chloropyrrolidin-1-yl) acetate
PubChem CID66933195
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(2-chloropyrrolidin-1-yl) acetate
SMILESCC(=O)ON1CCCC1Cl
InChIInChI=1S/C6H10ClNO2/c1-5(9)10-8-4-2-3-6(8)7/h6H,2-4H2,1H3
InChIKeyLZZBROUUQCMFAC-UHFFFAOYSA-N
XLogP1.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloropyrrolidin-1-yl) acetate?
The IUPAC name of (2-chloropyrrolidin-1-yl) acetate (CID 66933195) is (2-chloropyrrolidin-1-yl) acetate.
What is the SMILES notation for (2-chloropyrrolidin-1-yl) acetate?
The canonical SMILES for (2-chloropyrrolidin-1-yl) acetate is CC(=O)ON1CCCC1Cl.
What is the InChIKey of (2-chloropyrrolidin-1-yl) acetate?
The InChIKey is LZZBROUUQCMFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-5(9)10-8-4-2-3-6(8)7/h6H,2-4H2,1H3.
What are the key properties of (2-chloropyrrolidin-1-yl) acetate?
(2-chloropyrrolidin-1-yl) acetate has a molecular weight of 163.60 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloropyrrolidin-1-yl) acetate is sourced from PubChem (CID 66933195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).