1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol

C13H23NO — CID 123870066

IUPAC1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol
SMILESCC(=CC=CC(C)C)CN1CCC(O)C1
InChIInChI=1S/C13H23NO/c1-11(2)5-4-6-12(3)9-14-8-7-13(15)10-14/h4-6,11,13,15H,7-10H2,1-3H3
InChIKeyHJBNGEXNIXKDQW-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.21
Rot. Bonds4

About 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol

1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol (PubChem CID 123870066) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol
PubChem CID123870066
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol
SMILESCC(=CC=CC(C)C)CN1CCC(O)C1
InChIInChI=1S/C13H23NO/c1-11(2)5-4-6-12(3)9-14-8-7-13(15)10-14/h4-6,11,13,15H,7-10H2,1-3H3
InChIKeyHJBNGEXNIXKDQW-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol (CID 123870066) is 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol is CC(=CC=CC(C)C)CN1CCC(O)C1.
What is the InChIKey of 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol?
The InChIKey is HJBNGEXNIXKDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)5-4-6-12(3)9-14-8-7-13(15)10-14/h4-6,11,13,15H,7-10H2,1-3H3.
What are the key properties of 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol?
1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylhepta-2,4-dienyl)pyrrolidin-3-ol is sourced from PubChem (CID 123870066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).