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

C10H20ClNO — CID 141179965

IUPAC1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CCCCl
InChIInChI=1S/C10H20ClNO/c1-9(13)8-10-4-2-6-12(10)7-3-5-11/h9-10,13H,2-8H2,1H3
InChIKeySZHPQBMZZSDARD-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.85
Rot. Bonds5

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

1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 141179965) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID141179965
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CCCCl
InChIInChI=1S/C10H20ClNO/c1-9(13)8-10-4-2-6-12(10)7-3-5-11/h9-10,13H,2-8H2,1H3
InChIKeySZHPQBMZZSDARD-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

1-(1-Methylpyrrolidin-2-yl)propan-2-ol
CID 270601
(S)-1-((S)-1-Methylpyrrolidin-2-yl)propan-2-ol
CID 11029951
Pseudohygroline
CID 12310695
(alphaR,2R)-alpha,1-Dimethyl-2-pyrrolidineethanol
CID 442642
(+)-Pseudohygroline
CID 11029949
1-Fluoro-1-(1-methylpyrrolidin-2-yl)propan-2-ol
CID 105431691
1-[1-(3-Fluoropropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758746
1-[1-(2-Fluoroethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758852
1-Fluoro-3-(1-methylpyrrolidin-2-yl)propan-2-ol
CID 165968584
1-Butyl-5-propyl-pyrrolidin-3-ol
CID 54045741
1-Methyl-5-propylpyrrolidin-3-ol
CID 57834633
1-(1-Methylpyrrolidin-2-yl)butan-2-ol
CID 89022309

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol (CID 141179965) is 1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1CCCCl.
What is the InChIKey of 1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is SZHPQBMZZSDARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-9(13)8-10-4-2-6-12(10)7-3-5-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 205.73 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloropropyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 141179965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).