1-pyrrolidin-2-ylethenol

C6H11NO — CID 59903287

IUPAC1-pyrrolidin-2-ylethenol
SMILESC=C(O)C1CCCN1
InChIInChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-8H,1-4H2
InChIKeyCDSSOXPPYYVQSA-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.81
Rot. Bonds1

About 1-pyrrolidin-2-ylethenol

1-pyrrolidin-2-ylethenol (PubChem CID 59903287) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylethenol.

Molecular Properties

Compound Name1-pyrrolidin-2-ylethenol
PubChem CID59903287
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-pyrrolidin-2-ylethenol
SMILESC=C(O)C1CCCN1
InChIInChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-8H,1-4H2
InChIKeyCDSSOXPPYYVQSA-UHFFFAOYSA-N
XLogP0.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylethenol?
The IUPAC name of 1-pyrrolidin-2-ylethenol (CID 59903287) is 1-pyrrolidin-2-ylethenol.
What is the SMILES notation for 1-pyrrolidin-2-ylethenol?
The canonical SMILES for 1-pyrrolidin-2-ylethenol is C=C(O)C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylethenol?
The InChIKey is CDSSOXPPYYVQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-8H,1-4H2.
What are the key properties of 1-pyrrolidin-2-ylethenol?
1-pyrrolidin-2-ylethenol has a molecular weight of 113.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylethenol is sourced from PubChem (CID 59903287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).