[(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol

C15H27NO — CID 101090588

IUPAC[(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol
SMILESCC(C)=CCC/C(C)=C/CN1CCC[C@H]1CO
InChIInChI=1S/C15H27NO/c1-13(2)6-4-7-14(3)9-11-16-10-5-8-15(16)12-17/h6,9,15,17H,4-5,7-8,10-12H2,1-3H3/b14-9+/t15-/m0/s1
InChIKeyBNOAXXLFVBNBAD-HNRFISLBSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds6

About [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol (PubChem CID 101090588) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol
PubChem CID101090588
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol
SMILESCC(C)=CCC/C(C)=C/CN1CCC[C@H]1CO
InChIInChI=1S/C15H27NO/c1-13(2)6-4-7-14(3)9-11-16-10-5-8-15(16)12-17/h6,9,15,17H,4-5,7-8,10-12H2,1-3H3/b14-9+/t15-/m0/s1
InChIKeyBNOAXXLFVBNBAD-HNRFISLBSA-N
XLogP3.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol (CID 101090588) is [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol is CC(C)=CCC/C(C)=C/CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol?
The InChIKey is BNOAXXLFVBNBAD-HNRFISLBSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(2)6-4-7-14(3)9-11-16-10-5-8-15(16)12-17/h6,9,15,17H,4-5,7-8,10-12H2,1-3H3/b14-9+/t15-/m0/s1.
What are the key properties of [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol has a molecular weight of 237.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 101090588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).