1-[2-(chloromethyl)prop-2-enyl]pyrrolidine

C8H14ClN — CID 103067565

IUPAC1-[2-(chloromethyl)prop-2-enyl]pyrrolidine
SMILESC=C(CCl)CN1CCCC1
InChIInChI=1S/C8H14ClN/c1-8(6-9)7-10-4-2-3-5-10/h1-7H2
InChIKeyFHALOPZPFRPUPG-UHFFFAOYSA-N
MW159.66 g/mol
LogP1.88
Rot. Bonds3

About 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine

1-[2-(chloromethyl)prop-2-enyl]pyrrolidine (PubChem CID 103067565) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(chloromethyl)prop-2-enyl]pyrrolidine
PubChem CID103067565
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name1-[2-(chloromethyl)prop-2-enyl]pyrrolidine
SMILESC=C(CCl)CN1CCCC1
InChIInChI=1S/C8H14ClN/c1-8(6-9)7-10-4-2-3-5-10/h1-7H2
InChIKeyFHALOPZPFRPUPG-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine?
The IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine (CID 103067565) is 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine?
The canonical SMILES for 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine is C=C(CCl)CN1CCCC1.
What is the InChIKey of 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine?
The InChIKey is FHALOPZPFRPUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN/c1-8(6-9)7-10-4-2-3-5-10/h1-7H2.
What are the key properties of 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine?
1-[2-(chloromethyl)prop-2-enyl]pyrrolidine has a molecular weight of 159.66 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)prop-2-enyl]pyrrolidine is sourced from PubChem (CID 103067565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).