pyrrolidin-3-ol;1,2-xylene

C12H19NO — CID 142175106

IUPACpyrrolidin-3-ol;1,2-xylene
SMILESCc1ccccc1C.OC1CCNC1
InChIInChI=1S/C8H10.C4H9NO/c1-7-5-3-4-6-8(7)2;6-4-1-2-5-3-4/h3-6H,1-2H3;4-6H,1-3H2
InChIKeyIZKVMZBUIFGKPI-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.64
Rot. Bonds

About pyrrolidin-3-ol;1,2-xylene

pyrrolidin-3-ol;1,2-xylene (PubChem CID 142175106) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is pyrrolidin-3-ol;1,2-xylene.

Molecular Properties

Compound Namepyrrolidin-3-ol;1,2-xylene
PubChem CID142175106
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Namepyrrolidin-3-ol;1,2-xylene
SMILESCc1ccccc1C.OC1CCNC1
InChIInChI=1S/C8H10.C4H9NO/c1-7-5-3-4-6-8(7)2;6-4-1-2-5-3-4/h3-6H,1-2H3;4-6H,1-3H2
InChIKeyIZKVMZBUIFGKPI-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ol;1,2-xylene?
The IUPAC name of pyrrolidin-3-ol;1,2-xylene (CID 142175106) is pyrrolidin-3-ol;1,2-xylene.
What is the SMILES notation for pyrrolidin-3-ol;1,2-xylene?
The canonical SMILES for pyrrolidin-3-ol;1,2-xylene is Cc1ccccc1C.OC1CCNC1.
What is the InChIKey of pyrrolidin-3-ol;1,2-xylene?
The InChIKey is IZKVMZBUIFGKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H9NO/c1-7-5-3-4-6-8(7)2;6-4-1-2-5-3-4/h3-6H,1-2H3;4-6H,1-3H2.
What are the key properties of pyrrolidin-3-ol;1,2-xylene?
pyrrolidin-3-ol;1,2-xylene has a molecular weight of 193.29 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ol;1,2-xylene is sourced from PubChem (CID 142175106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).