[(3S)-pyrrolidin-3-yl]methanol;hydrochloride

C5H12ClNO — CID 43810917

IUPAC[(3S)-pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@H]1CCNC1
InChIInChI=1S/C5H11NO.ClH/c7-4-5-1-2-6-3-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
InChIKeyRPSPXNVYBCMWAR-JEDNCBNOSA-N
MW137.61 g/mol
LogP0.01
Rot. Bonds1

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

[(3S)-pyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 43810917) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is [(3S)-pyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(3S)-pyrrolidin-3-yl]methanol;hydrochloride
PubChem CID43810917
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name[(3S)-pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@H]1CCNC1
InChIInChI=1S/C5H11NO.ClH/c7-4-5-1-2-6-3-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
InChIKeyRPSPXNVYBCMWAR-JEDNCBNOSA-N
XLogP0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [(3S)-pyrrolidin-3-yl]methanol;hydrochloride (CID 43810917) is [(3S)-pyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [(3S)-pyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [(3S)-pyrrolidin-3-yl]methanol;hydrochloride is Cl.OC[C@H]1CCNC1.
What is the InChIKey of [(3S)-pyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is RPSPXNVYBCMWAR-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c7-4-5-1-2-6-3-5;/h5-7H,1-4H2;1H/t5-;/m0./s1.
What are the key properties of [(3S)-pyrrolidin-3-yl]methanol;hydrochloride?
[(3S)-pyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 43810917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).