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

C13H25NO — CID 79068376

IUPAC5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol
SMILESC=CCC(O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C13H25NO/c1-4-9-12(15)13(5-2,6-3)14-10-7-8-11-14/h4,12,15H,1,5-11H2,2-3H3
InChIKeyMRLCPJVLMKSZEF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds6

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

5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol (PubChem CID 79068376) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol.

Molecular Properties

Compound Name5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol
PubChem CID79068376
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol
SMILESC=CCC(O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C13H25NO/c1-4-9-12(15)13(5-2,6-3)14-10-7-8-11-14/h4,12,15H,1,5-11H2,2-3H3
InChIKeyMRLCPJVLMKSZEF-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
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-5-pyrrolidin-1-ylhept-1-en-4-ol?
The IUPAC name of 5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol (CID 79068376) is 5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol.
What is the SMILES notation for 5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The canonical SMILES for 5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol is C=CCC(O)C(CC)(CC)N1CCCC1.
What is the InChIKey of 5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
The InChIKey is MRLCPJVLMKSZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-9-12(15)13(5-2,6-3)14-10-7-8-11-14/h4,12,15H,1,5-11H2,2-3H3.
What are the key properties of 5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol?
5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-pyrrolidin-1-ylhept-1-en-4-ol is sourced from PubChem (CID 79068376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).