3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol

C14H27NO2 — CID 19928726

IUPAC3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol
SMILESCC(C)=CCCC(C)(O)C(CO)N1CCCC1
InChIInChI=1S/C14H27NO2/c1-12(2)7-6-8-14(3,17)13(11-16)15-9-4-5-10-15/h7,13,16-17H,4-6,8-11H2,1-3H3
InChIKeyLLZLGHSMSDUCBK-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.94
Rot. Bonds6

About 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol

3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol (PubChem CID 19928726) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol.

Molecular Properties

Compound Name3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol
PubChem CID19928726
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol
SMILESCC(C)=CCCC(C)(O)C(CO)N1CCCC1
InChIInChI=1S/C14H27NO2/c1-12(2)7-6-8-14(3,17)13(11-16)15-9-4-5-10-15/h7,13,16-17H,4-6,8-11H2,1-3H3
InChIKeyLLZLGHSMSDUCBK-UHFFFAOYSA-N
XLogP1.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol?
The IUPAC name of 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol (CID 19928726) is 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol.
What is the SMILES notation for 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol?
The canonical SMILES for 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol is CC(C)=CCCC(C)(O)C(CO)N1CCCC1.
What is the InChIKey of 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol?
The InChIKey is LLZLGHSMSDUCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)7-6-8-14(3,17)13(11-16)15-9-4-5-10-15/h7,13,16-17H,4-6,8-11H2,1-3H3.
What are the key properties of 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol?
3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol has a molecular weight of 241.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-pyrrolidin-1-yloct-6-ene-1,3-diol is sourced from PubChem (CID 19928726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).