[(2S)-1-benzylpyrrolidin-2-yl]methanol

C12H17NO — CID 719760

IUPAC[(2S)-1-benzylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1
InChIKeyZAIQBJPTOXDDKA-LBPRGKRZSA-N
MW191.27 g/mol
LogP1.64
Rot. Bonds3

About [(2S)-1-benzylpyrrolidin-2-yl]methanol

[(2S)-1-benzylpyrrolidin-2-yl]methanol (PubChem CID 719760) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(2S)-1-benzylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-benzylpyrrolidin-2-yl]methanol
PubChem CID719760
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(2S)-1-benzylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1
InChIKeyZAIQBJPTOXDDKA-LBPRGKRZSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]methanol (CID 719760) is [(2S)-1-benzylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-benzylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-benzylpyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of [(2S)-1-benzylpyrrolidin-2-yl]methanol?
The InChIKey is ZAIQBJPTOXDDKA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1.
What are the key properties of [(2S)-1-benzylpyrrolidin-2-yl]methanol?
[(2S)-1-benzylpyrrolidin-2-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 719760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).