2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine

C10H18ClNO — CID 130533952

IUPAC2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine
SMILESClCCC1CCCN1C1CCOC1
InChIInChI=1S/C10H18ClNO/c11-5-3-9-2-1-6-12(9)10-4-7-13-8-10/h9-10H,1-8H2
InChIKeyWFCWEROSYIWXTR-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.87
Rot. Bonds3

About 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine

2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine (PubChem CID 130533952) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine
PubChem CID130533952
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine
SMILESClCCC1CCCN1C1CCOC1
InChIInChI=1S/C10H18ClNO/c11-5-3-9-2-1-6-12(9)10-4-7-13-8-10/h9-10H,1-8H2
InChIKeyWFCWEROSYIWXTR-UHFFFAOYSA-N
XLogP1.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine
CID 80671573
3-(2-chloroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 139644525
2-[1-(oxolan-3-yl)pyrrolidin-2-yl]acetic acid
CID 63563210
3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 103857795
2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine
CID 73440123
2-(methoxymethyl)-1-(oxetan-3-yl)pyrrolidine
CID 147106850
[1-(oxan-4-yl)piperidin-2-yl]methanol
CID 63937117
4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine
CID 124996158
3-ethyl-2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826069
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane
CID 170768487
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919663

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine?
The IUPAC name of 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine (CID 130533952) is 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine?
The canonical SMILES for 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine is ClCCC1CCCN1C1CCOC1.
What is the InChIKey of 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine?
The InChIKey is WFCWEROSYIWXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-5-3-9-2-1-6-12(9)10-4-7-13-8-10/h9-10H,1-8H2.
What are the key properties of 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine?
2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine has a molecular weight of 203.71 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine is sourced from PubChem (CID 130533952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).