2-pyrrolidin-2-ylethanol;hydrochloride

C6H14ClNO — CID 53407664

IUPAC2-pyrrolidin-2-ylethanol;hydrochloride
SMILESCl.OCCC1CCCN1
InChIInChI=1S/C6H13NO.ClH/c8-5-3-6-2-1-4-7-6;/h6-8H,1-5H2;1H
InChIKeyVLCKHADTUGEQCH-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.54
Rot. Bonds2

About 2-pyrrolidin-2-ylethanol;hydrochloride

2-pyrrolidin-2-ylethanol;hydrochloride (PubChem CID 53407664) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-ylethanol;hydrochloride
PubChem CID53407664
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name2-pyrrolidin-2-ylethanol;hydrochloride
SMILESCl.OCCC1CCCN1
InChIInChI=1S/C6H13NO.ClH/c8-5-3-6-2-1-4-7-6;/h6-8H,1-5H2;1H
InChIKeyVLCKHADTUGEQCH-UHFFFAOYSA-N
XLogP0.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14353894
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CID 86873
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CID 53878178
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CID 66625258
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CID 67022047
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CID 69902200
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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylethanol;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-ylethanol;hydrochloride (CID 53407664) is 2-pyrrolidin-2-ylethanol;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-ylethanol;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-ylethanol;hydrochloride is Cl.OCCC1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-ylethanol;hydrochloride?
The InChIKey is VLCKHADTUGEQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c8-5-3-6-2-1-4-7-6;/h6-8H,1-5H2;1H.
What are the key properties of 2-pyrrolidin-2-ylethanol;hydrochloride?
2-pyrrolidin-2-ylethanol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylethanol;hydrochloride is sourced from PubChem (CID 53407664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).