2-pyrrolidin-3-ylethanol

C6H13NO — CID 12612441

IUPAC2-pyrrolidin-3-ylethanol
SMILESOCCC1CCNC1
InChIInChI=1S/C6H13NO/c8-4-2-6-1-3-7-5-6/h6-8H,1-5H2
InChIKeyNKRLLPCWCPIQPL-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.02
Rot. Bonds2

About 2-pyrrolidin-3-ylethanol

2-pyrrolidin-3-ylethanol (PubChem CID 12612441) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name2-pyrrolidin-3-ylethanol
PubChem CID12612441
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-pyrrolidin-3-ylethanol
SMILESOCCC1CCNC1
InChIInChI=1S/C6H13NO/c8-4-2-6-1-3-7-5-6/h6-8H,1-5H2
InChIKeyNKRLLPCWCPIQPL-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylethanol?
The IUPAC name of 2-pyrrolidin-3-ylethanol (CID 12612441) is 2-pyrrolidin-3-ylethanol.
What is the SMILES notation for 2-pyrrolidin-3-ylethanol?
The canonical SMILES for 2-pyrrolidin-3-ylethanol is OCCC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylethanol?
The InChIKey is NKRLLPCWCPIQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c8-4-2-6-1-3-7-5-6/h6-8H,1-5H2.
What are the key properties of 2-pyrrolidin-3-ylethanol?
2-pyrrolidin-3-ylethanol has a molecular weight of 115.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylethanol is sourced from PubChem (CID 12612441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).