2-pyrrolidin-2-ylhex-5-en-2-ol

C10H19NO — CID 104656205

IUPAC2-pyrrolidin-2-ylhex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CCCN1
InChIInChI=1S/C10H19NO/c1-3-4-7-10(2,12)9-6-5-8-11-9/h3,9,11-12H,1,4-8H2,2H3
InChIKeyOMVAIIMNFHJFJE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds4

About 2-pyrrolidin-2-ylhex-5-en-2-ol

2-pyrrolidin-2-ylhex-5-en-2-ol (PubChem CID 104656205) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylhex-5-en-2-ol.

Molecular Properties

Compound Name2-pyrrolidin-2-ylhex-5-en-2-ol
PubChem CID104656205
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-pyrrolidin-2-ylhex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CCCN1
InChIInChI=1S/C10H19NO/c1-3-4-7-10(2,12)9-6-5-8-11-9/h3,9,11-12H,1,4-8H2,2H3
InChIKeyOMVAIIMNFHJFJE-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
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

4-Pyrrolidin-2-yl-hepta-1,6-dien-4-ol
CID 3138066
4-[(2S)-pyrrolidin-2-yl]hepta-1,6-dien-4-ol
CID 788018
4-(1-Methylpyrrolidin-2-yl)hepta-1,6-dien-4-ol
CID 67893456
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
3-[(2R)-pyrrolidin-2-yl]hexan-3-ol
CID 138485395
3-[(2S)-pyrrolidin-2-yl]hexan-3-ol
CID 138485396
(2R)-2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol
CID 138485455
2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol
CID 138485562
5-[(2R)-pyrrolidin-2-yl]nonan-5-ol
CID 141306805
1-[(2S)-4-ethenylpyrrolidin-2-yl]propan-1-ol
CID 144046776
1-(4-Methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
CID 144653686

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylhex-5-en-2-ol?
The IUPAC name of 2-pyrrolidin-2-ylhex-5-en-2-ol (CID 104656205) is 2-pyrrolidin-2-ylhex-5-en-2-ol.
What is the SMILES notation for 2-pyrrolidin-2-ylhex-5-en-2-ol?
The canonical SMILES for 2-pyrrolidin-2-ylhex-5-en-2-ol is C=CCCC(C)(O)C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-ylhex-5-en-2-ol?
The InChIKey is OMVAIIMNFHJFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-7-10(2,12)9-6-5-8-11-9/h3,9,11-12H,1,4-8H2,2H3.
What are the key properties of 2-pyrrolidin-2-ylhex-5-en-2-ol?
2-pyrrolidin-2-ylhex-5-en-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylhex-5-en-2-ol is sourced from PubChem (CID 104656205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).