3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol

C12H24ClNO — CID 62469037

IUPAC3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCCCCl
InChIInChI=1S/C12H24ClNO/c13-8-2-1-3-9-14-10-4-6-12(14)7-5-11-15/h12,15H,1-11H2
InChIKeyDPXCLNPWPITGRR-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.63
Rot. Bonds8

About 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469037) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62469037
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCCCCl
InChIInChI=1S/C12H24ClNO/c13-8-2-1-3-9-14-10-4-6-12(14)7-5-11-15/h12,15H,1-11H2
InChIKeyDPXCLNPWPITGRR-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol (CID 62469037) is 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CCCCCCl.
What is the InChIKey of 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DPXCLNPWPITGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c13-8-2-1-3-9-14-10-4-6-12(14)7-5-11-15/h12,15H,1-11H2.
What are the key properties of 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 233.78 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloropentyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).