[(2S)-pyrrolidin-2-yl]methanol;zinc

C5H11NOZn — CID 175136372

IUPAC[(2S)-pyrrolidin-2-yl]methanol;zinc
SMILESOC[C@@H]1CCCN1.[Zn]
InChIInChI=1S/C5H11NO.Zn/c7-4-5-2-1-3-6-5;/h5-7H,1-4H2;/t5-;/m0./s1
InChIKeyPRTBTDUWXWCEKF-JEDNCBNOSA-N
MW166.54 g/mol
LogP-0.27
Rot. Bonds1

About [(2S)-pyrrolidin-2-yl]methanol;zinc

[(2S)-pyrrolidin-2-yl]methanol;zinc (PubChem CID 175136372) has the molecular formula C5H11NOZn and a molecular weight of 166.54 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]methanol;zinc.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]methanol;zinc
PubChem CID175136372
Molecular FormulaC5H11NOZn
Molecular Weight166.54 g/mol
Exact Mass165.01
IUPAC Name[(2S)-pyrrolidin-2-yl]methanol;zinc
SMILESOC[C@@H]1CCCN1.[Zn]
InChIInChI=1S/C5H11NO.Zn/c7-4-5-2-1-3-6-5;/h5-7H,1-4H2;/t5-;/m0./s1
InChIKeyPRTBTDUWXWCEKF-JEDNCBNOSA-N
XLogP-0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.54
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 870731
[(2S)-azepan-2-yl]methanol;hydrochloride
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1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
ethane;ethene;piperidin-2-ylmethanol
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pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
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CID 142237933
2-methylprop-2-enoic acid;piperidin-2-ylmethanol
CID 70536711
N-butylacetamide;pyrrolidin-2-ylmethanol
CID 144581218
3-fluoroaniline;pyrrolidin-2-ylmethanol
CID 69484506
pyrrolidin-2-ylmethanethiol
CID 15793333
CID 18724132
CID 18724132

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]methanol;zinc?
The IUPAC name of [(2S)-pyrrolidin-2-yl]methanol;zinc (CID 175136372) is [(2S)-pyrrolidin-2-yl]methanol;zinc.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]methanol;zinc?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]methanol;zinc is OC[C@@H]1CCCN1.[Zn].
What is the InChIKey of [(2S)-pyrrolidin-2-yl]methanol;zinc?
The InChIKey is PRTBTDUWXWCEKF-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11NO.Zn/c7-4-5-2-1-3-6-5;/h5-7H,1-4H2;/t5-;/m0./s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]methanol;zinc?
[(2S)-pyrrolidin-2-yl]methanol;zinc has a molecular weight of 166.54 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]methanol;zinc is sourced from PubChem (CID 175136372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).