3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine

C9H16ClNO — CID 63387824

IUPAC3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESClC1CCN(CC2CCCO2)C1
InChIInChI=1S/C9H16ClNO/c10-8-3-4-11(6-8)7-9-2-1-5-12-9/h8-9H,1-7H2
InChIKeyIQRSTZBWDVURJD-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.48
Rot. Bonds2

About 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine

3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine (PubChem CID 63387824) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine
PubChem CID63387824
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESClC1CCN(CC2CCCO2)C1
InChIInChI=1S/C9H16ClNO/c10-8-3-4-11(6-8)7-9-2-1-5-12-9/h8-9H,1-7H2
InChIKeyIQRSTZBWDVURJD-UHFFFAOYSA-N
XLogP1.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine?
The IUPAC name of 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine (CID 63387824) is 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine is ClC1CCN(CC2CCCO2)C1.
What is the InChIKey of 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine?
The InChIKey is IQRSTZBWDVURJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-8-3-4-11(6-8)7-9-2-1-5-12-9/h8-9H,1-7H2.
What are the key properties of 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine?
3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine has a molecular weight of 189.69 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(oxolan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 63387824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).