1-(1-hept-6-enylpyrrolidin-3-yl)ethanol

C13H25NO — CID 107010119

IUPAC1-(1-hept-6-enylpyrrolidin-3-yl)ethanol
SMILESC=CCCCCCN1CCC(C(C)O)C1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-9-14-10-8-13(11-14)12(2)15/h3,12-13,15H,1,4-11H2,2H3
InChIKeyLQLNPQPANUQZLV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds7

About 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol

1-(1-hept-6-enylpyrrolidin-3-yl)ethanol (PubChem CID 107010119) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-hept-6-enylpyrrolidin-3-yl)ethanol
PubChem CID107010119
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(1-hept-6-enylpyrrolidin-3-yl)ethanol
SMILESC=CCCCCCN1CCC(C(C)O)C1
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-9-14-10-8-13(11-14)12(2)15/h3,12-13,15H,1,4-11H2,2H3
InChIKeyLQLNPQPANUQZLV-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol?
The IUPAC name of 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol (CID 107010119) is 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol is C=CCCCCCN1CCC(C(C)O)C1.
What is the InChIKey of 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol?
The InChIKey is LQLNPQPANUQZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-7-9-14-10-8-13(11-14)12(2)15/h3,12-13,15H,1,4-11H2,2H3.
What are the key properties of 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol?
1-(1-hept-6-enylpyrrolidin-3-yl)ethanol has a molecular weight of 211.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hept-6-enylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 107010119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).