1-pyrrolidin-1-ylethenol

C6H11NO — CID 174587318

IUPAC1-pyrrolidin-1-ylethenol
SMILESC=C(O)N1CCCC1
InChIInChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h8H,1-5H2
InChIKeyCHKPOCYDNVMHOP-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.11
Rot. Bonds1

About 1-pyrrolidin-1-ylethenol

1-pyrrolidin-1-ylethenol (PubChem CID 174587318) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylethenol.

Molecular Properties

Compound Name1-pyrrolidin-1-ylethenol
PubChem CID174587318
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-pyrrolidin-1-ylethenol
SMILESC=C(O)N1CCCC1
InChIInChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h8H,1-5H2
InChIKeyCHKPOCYDNVMHOP-UHFFFAOYSA-N
XLogP1.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
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-1-ylethenol?
The IUPAC name of 1-pyrrolidin-1-ylethenol (CID 174587318) is 1-pyrrolidin-1-ylethenol.
What is the SMILES notation for 1-pyrrolidin-1-ylethenol?
The canonical SMILES for 1-pyrrolidin-1-ylethenol is C=C(O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylethenol?
The InChIKey is CHKPOCYDNVMHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h8H,1-5H2.
What are the key properties of 1-pyrrolidin-1-ylethenol?
1-pyrrolidin-1-ylethenol has a molecular weight of 113.16 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylethenol is sourced from PubChem (CID 174587318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).