2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol

C12H21NO — CID 130756519

IUPAC2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol
SMILESOC(CN1CCC1)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c14-12(8-13-4-1-5-13)11-7-9-2-3-10(11)6-9/h9-12,14H,1-8H2
InChIKeyLDPYUPLDUOFCGL-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.49
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol

2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol (PubChem CID 130756519) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol
PubChem CID130756519
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol
SMILESOC(CN1CCC1)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c14-12(8-13-4-1-5-13)11-7-9-2-3-10(11)6-9/h9-12,14H,1-8H2
InChIKeyLDPYUPLDUOFCGL-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol?
The IUPAC name of 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol (CID 130756519) is 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol?
The canonical SMILES for 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol is OC(CN1CCC1)C1CC2CCC1C2.
What is the InChIKey of 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol?
The InChIKey is LDPYUPLDUOFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(8-13-4-1-5-13)11-7-9-2-3-10(11)6-9/h9-12,14H,1-8H2.
What are the key properties of 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol?
2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol has a molecular weight of 195.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanol is sourced from PubChem (CID 130756519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).