1-chloro-1-pyrrolidin-2-ylethanol

C6H12ClNO — CID 126542181

IUPAC1-chloro-1-pyrrolidin-2-ylethanol
SMILESCC(O)(Cl)C1CCCN1
InChIInChI=1S/C6H12ClNO/c1-6(7,9)5-3-2-4-8-5/h5,8-9H,2-4H2,1H3
InChIKeySZRJKSZCWTXZCD-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.69
Rot. Bonds1

About 1-chloro-1-pyrrolidin-2-ylethanol

1-chloro-1-pyrrolidin-2-ylethanol (PubChem CID 126542181) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 1-chloro-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-chloro-1-pyrrolidin-2-ylethanol
PubChem CID126542181
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name1-chloro-1-pyrrolidin-2-ylethanol
SMILESCC(O)(Cl)C1CCCN1
InChIInChI=1S/C6H12ClNO/c1-6(7,9)5-3-2-4-8-5/h5,8-9H,2-4H2,1H3
InChIKeySZRJKSZCWTXZCD-UHFFFAOYSA-N
XLogP0.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-1-pyrrolidin-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
(2R)-3-methyl-2-[(2S)-pyrrolidin-2-yl]butan-2-ol
CID 138485633
2-tert-butylpyrrolidine;methane
CID 174978961
4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol
CID 130920740
2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol
CID 137368500
(2S)-2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol;sulfane
CID 167598159
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 167396115
2-[(2R)-azetidin-2-yl]propan-2-ol
CID 135393026
(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine
CID 176610737
1-(1-hydroxy-1-pyrrolidin-2-ylethyl)cyclopropane-1-carbonitrile
CID 130900729

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-pyrrolidin-2-ylethanol?
The IUPAC name of 1-chloro-1-pyrrolidin-2-ylethanol (CID 126542181) is 1-chloro-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-chloro-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-chloro-1-pyrrolidin-2-ylethanol is CC(O)(Cl)C1CCCN1.
What is the InChIKey of 1-chloro-1-pyrrolidin-2-ylethanol?
The InChIKey is SZRJKSZCWTXZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-6(7,9)5-3-2-4-8-5/h5,8-9H,2-4H2,1H3.
What are the key properties of 1-chloro-1-pyrrolidin-2-ylethanol?
1-chloro-1-pyrrolidin-2-ylethanol has a molecular weight of 149.62 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 126542181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).