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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Related Compounds

2-Fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol
CID 91025545
[(4Z)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 178758820
(3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
CID 130367474
(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
CID 130367769
(3R,4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584520
1-Methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584526
(1R)-1-[(2S)-1,2-dimethyl-4-methylidenepyrrolidin-2-yl]ethanol
CID 145041183
(2-Butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
CID 164922029
[1-Methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
CID 164922682
methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol
CID 170771620
(2-Ethyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
CID 172354916
(1-Methyl-4-methylidene-2-propylpyrrolidin-2-yl)methanol
CID 172364840

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).