2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride

C6H14ClNO — CID 71646442

IUPAC2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride
SMILESCl.OCC[C@@H]1CCNC1
InChIInChI=1S/C6H13NO.ClH/c8-4-2-6-1-3-7-5-6;/h6-8H,1-5H2;1H/t6-;/m0./s1
InChIKeySVUPXZZFQCQRSC-RGMNGODLSA-N
MW151.64 g/mol
LogP0.40
Rot. Bonds2

About 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride

2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride (PubChem CID 71646442) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride
PubChem CID71646442
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride
SMILESCl.OCC[C@@H]1CCNC1
InChIInChI=1S/C6H13NO.ClH/c8-4-2-6-1-3-7-5-6;/h6-8H,1-5H2;1H/t6-;/m0./s1
InChIKeySVUPXZZFQCQRSC-RGMNGODLSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride (CID 71646442) is 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride is Cl.OCC[C@@H]1CCNC1.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride?
The InChIKey is SVUPXZZFQCQRSC-RGMNGODLSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c8-4-2-6-1-3-7-5-6;/h6-8H,1-5H2;1H/t6-;/m0./s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride?
2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]ethanol;hydrochloride is sourced from PubChem (CID 71646442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).