1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine

C11H22ClNO — CID 70396794

IUPAC1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine
SMILESCC(C)COCCC(Cl)N1CCCC1
InChIInChI=1S/C11H22ClNO/c1-10(2)9-14-8-5-11(12)13-6-3-4-7-13/h10-11H,3-9H2,1-2H3
InChIKeyWNPKGSXRBWWUCM-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.71
Rot. Bonds6

About 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine

1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine (PubChem CID 70396794) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine
PubChem CID70396794
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine
SMILESCC(C)COCCC(Cl)N1CCCC1
InChIInChI=1S/C11H22ClNO/c1-10(2)9-14-8-5-11(12)13-6-3-4-7-13/h10-11H,3-9H2,1-2H3
InChIKeyWNPKGSXRBWWUCM-UHFFFAOYSA-N
XLogP2.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine?
The IUPAC name of 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine (CID 70396794) is 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine is CC(C)COCCC(Cl)N1CCCC1.
What is the InChIKey of 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine?
The InChIKey is WNPKGSXRBWWUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-10(2)9-14-8-5-11(12)13-6-3-4-7-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine?
1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine has a molecular weight of 219.76 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-3-(2-methylpropoxy)propyl]pyrrolidine is sourced from PubChem (CID 70396794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).