5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol

C14H27NO — CID 79179347

IUPAC5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol
SMILESC=C(C)CC(O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C14H27NO/c1-5-14(6-2,13(16)11-12(3)4)15-9-7-8-10-15/h13,16H,3,5-11H2,1-2,4H3
InChIKeyGILHPZIYENOFJH-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds6

About 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol

5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol (PubChem CID 79179347) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol.

Molecular Properties

Compound Name5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol
PubChem CID79179347
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol
SMILESC=C(C)CC(O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C14H27NO/c1-5-14(6-2,13(16)11-12(3)4)15-9-7-8-10-15/h13,16H,3,5-11H2,1-2,4H3
InChIKeyGILHPZIYENOFJH-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The IUPAC name of 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol (CID 79179347) is 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol.
What is the SMILES notation for 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The canonical SMILES for 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol is C=C(C)CC(O)C(CC)(CC)N1CCCC1.
What is the InChIKey of 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The InChIKey is GILHPZIYENOFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-14(6-2,13(16)11-12(3)4)15-9-7-8-10-15/h13,16H,3,5-11H2,1-2,4H3.
What are the key properties of 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol is sourced from PubChem (CID 79179347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).