1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol

C15H29NO — CID 170026498

IUPAC1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol
SMILESC/C=C(/C)C(CC(C)CCC)N1CCCC1O
InChIInChI=1S/C15H29NO/c1-5-8-12(3)11-14(13(4)6-2)16-10-7-9-15(16)17/h6,12,14-15,17H,5,7-11H2,1-4H3/b13-6-
InChIKeyWIENPFMKMJHLED-MLPAPPSSSA-N
MW239.40 g/mol
LogP3.56
Rot. Bonds6

About 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol

1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol (PubChem CID 170026498) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol.

Molecular Properties

Compound Name1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol
PubChem CID170026498
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol
SMILESC/C=C(/C)C(CC(C)CCC)N1CCCC1O
InChIInChI=1S/C15H29NO/c1-5-8-12(3)11-14(13(4)6-2)16-10-7-9-15(16)17/h6,12,14-15,17H,5,7-11H2,1-4H3/b13-6-
InChIKeyWIENPFMKMJHLED-MLPAPPSSSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.56
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 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol?
The IUPAC name of 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol (CID 170026498) is 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol.
What is the SMILES notation for 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol?
The canonical SMILES for 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol is C/C=C(/C)C(CC(C)CCC)N1CCCC1O.
What is the InChIKey of 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol?
The InChIKey is WIENPFMKMJHLED-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-8-12(3)11-14(13(4)6-2)16-10-7-9-15(16)17/h6,12,14-15,17H,5,7-11H2,1-4H3/b13-6-.
What are the key properties of 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol?
1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol is sourced from PubChem (CID 170026498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).