1-(1-chloropropyl)pyrrolidine

C7H14ClN — CID 18798137

IUPAC1-(1-chloropropyl)pyrrolidine
SMILESCCC(Cl)N1CCCC1
InChIInChI=1S/C7H14ClN/c1-2-7(8)9-5-3-4-6-9/h7H,2-6H2,1H3
InChIKeyXBVMTQUMSSTPMO-UHFFFAOYSA-N
MW147.65 g/mol
LogP2.06
Rot. Bonds2

About 1-(1-chloropropyl)pyrrolidine

1-(1-chloropropyl)pyrrolidine (PubChem CID 18798137) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-(1-chloropropyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-chloropropyl)pyrrolidine
PubChem CID18798137
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-(1-chloropropyl)pyrrolidine
SMILESCCC(Cl)N1CCCC1
InChIInChI=1S/C7H14ClN/c1-2-7(8)9-5-3-4-6-9/h7H,2-6H2,1H3
InChIKeyXBVMTQUMSSTPMO-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(1-chloropropyl)pyrrolidine?
The IUPAC name of 1-(1-chloropropyl)pyrrolidine (CID 18798137) is 1-(1-chloropropyl)pyrrolidine.
What is the SMILES notation for 1-(1-chloropropyl)pyrrolidine?
The canonical SMILES for 1-(1-chloropropyl)pyrrolidine is CCC(Cl)N1CCCC1.
What is the InChIKey of 1-(1-chloropropyl)pyrrolidine?
The InChIKey is XBVMTQUMSSTPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-2-7(8)9-5-3-4-6-9/h7H,2-6H2,1H3.
What are the key properties of 1-(1-chloropropyl)pyrrolidine?
1-(1-chloropropyl)pyrrolidine has a molecular weight of 147.65 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropyl)pyrrolidine is sourced from PubChem (CID 18798137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).