2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol

C13H25NO — CID 79056533

IUPAC2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol
SMILESC=CCCCC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C13H25NO/c1-4-5-6-9-12(15)13(2,3)14-10-7-8-11-14/h4,12,15H,1,5-11H2,2-3H3
InChIKeyJMXZFHOMVYLQFC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds6

About 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol

2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol (PubChem CID 79056533) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol
PubChem CID79056533
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol
SMILESC=CCCCC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C13H25NO/c1-4-5-6-9-12(15)13(2,3)14-10-7-8-11-14/h4,12,15H,1,5-11H2,2-3H3
InChIKeyJMXZFHOMVYLQFC-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': '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 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol?
The IUPAC name of 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol (CID 79056533) is 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol is C=CCCCC(O)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol?
The InChIKey is JMXZFHOMVYLQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-6-9-12(15)13(2,3)14-10-7-8-11-14/h4,12,15H,1,5-11H2,2-3H3.
What are the key properties of 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol?
2-methyl-2-pyrrolidin-1-yloct-7-en-3-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 2-methyl-2-pyrrolidin-1-yloct-7-en-3-ol is sourced from PubChem (CID 79056533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).