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

C10H20ClNO — CID 62468867

IUPAC3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCCl
InChIInChI=1S/C10H20ClNO/c11-6-3-8-12-7-1-4-10(12)5-2-9-13/h10,13H,1-9H2
InChIKeyNPMBUQUKJWUAJK-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.85
Rot. Bonds6

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

3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468867) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62468867
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCCl
InChIInChI=1S/C10H20ClNO/c11-6-3-8-12-7-1-4-10(12)5-2-9-13/h10,13H,1-9H2
InChIKeyNPMBUQUKJWUAJK-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol (CID 62468867) is 3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CCCCl.
What is the InChIKey of 3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is NPMBUQUKJWUAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c11-6-3-8-12-7-1-4-10(12)5-2-9-13/h10,13H,1-9H2.
What are the key properties of 3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 205.73 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).