1-methylpyrrolidine;phenylmethanol

C12H19NO — CID 68747429

IUPAC1-methylpyrrolidine;phenylmethanol
SMILESCN1CCCC1.OCc1ccccc1
InChIInChI=1S/C7H8O.C5H11N/c8-6-7-4-2-1-3-5-7;1-6-4-2-3-5-6/h1-5,8H,6H2;2-5H2,1H3
InChIKeyDWIUIWQXQNJUCZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.89
Rot. Bonds1

About 1-methylpyrrolidine;phenylmethanol

1-methylpyrrolidine;phenylmethanol (PubChem CID 68747429) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methylpyrrolidine;phenylmethanol.

Molecular Properties

Compound Name1-methylpyrrolidine;phenylmethanol
PubChem CID68747429
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-methylpyrrolidine;phenylmethanol
SMILESCN1CCCC1.OCc1ccccc1
InChIInChI=1S/C7H8O.C5H11N/c8-6-7-4-2-1-3-5-7;1-6-4-2-3-5-6/h1-5,8H,6H2;2-5H2,1H3
InChIKeyDWIUIWQXQNJUCZ-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine;phenylmethanol?
The IUPAC name of 1-methylpyrrolidine;phenylmethanol (CID 68747429) is 1-methylpyrrolidine;phenylmethanol.
What is the SMILES notation for 1-methylpyrrolidine;phenylmethanol?
The canonical SMILES for 1-methylpyrrolidine;phenylmethanol is CN1CCCC1.OCc1ccccc1.
What is the InChIKey of 1-methylpyrrolidine;phenylmethanol?
The InChIKey is DWIUIWQXQNJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C5H11N/c8-6-7-4-2-1-3-5-7;1-6-4-2-3-5-6/h1-5,8H,6H2;2-5H2,1H3.
What are the key properties of 1-methylpyrrolidine;phenylmethanol?
1-methylpyrrolidine;phenylmethanol has a molecular weight of 193.29 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine;phenylmethanol is sourced from PubChem (CID 68747429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).