1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol

C11H21NO — CID 141377133

IUPAC1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol
SMILESC=CCC(O)C[C@H]1CNC(C)(C)C1
InChIInChI=1S/C11H21NO/c1-4-5-10(13)6-9-7-11(2,3)12-8-9/h4,9-10,12-13H,1,5-8H2,2-3H3/t9-,10?/m1/s1
InChIKeyKMIAXAIZQHYRBX-YHMJZVADSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds4

About 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol

1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol (PubChem CID 141377133) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol
PubChem CID141377133
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol
SMILESC=CCC(O)C[C@H]1CNC(C)(C)C1
InChIInChI=1S/C11H21NO/c1-4-5-10(13)6-9-7-11(2,3)12-8-9/h4,9-10,12-13H,1,5-8H2,2-3H3/t9-,10?/m1/s1
InChIKeyKMIAXAIZQHYRBX-YHMJZVADSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-pyrrolidin-2-ylbut-3-en-1-ol
CID 123387367
(1R)-1-[(4S)-4-methyl-5-prop-2-enylpyrrolidin-2-yl]ethanol
CID 130455913
(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol
CID 141177622
(2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol
CID 141320470
1-(4-Methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
CID 144653686

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol?
The IUPAC name of 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol (CID 141377133) is 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol.
What is the SMILES notation for 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol?
The canonical SMILES for 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol is C=CCC(O)C[C@H]1CNC(C)(C)C1.
What is the InChIKey of 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol?
The InChIKey is KMIAXAIZQHYRBX-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-10(13)6-9-7-11(2,3)12-8-9/h4,9-10,12-13H,1,5-8H2,2-3H3/t9-,10?/m1/s1.
What are the key properties of 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol?
1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol is sourced from PubChem (CID 141377133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).