1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol

C15H27NO — CID 79058445

IUPAC1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H27NO/c1-2-3-4-9-14(17)15(10-5-6-11-15)16-12-7-8-13-16/h2,14,17H,1,3-13H2
InChIKeyMQYVSPDWWYPBMG-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds6

About 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol

1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol (PubChem CID 79058445) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol
PubChem CID79058445
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H27NO/c1-2-3-4-9-14(17)15(10-5-6-11-15)16-12-7-8-13-16/h2,14,17H,1,3-13H2
InChIKeyMQYVSPDWWYPBMG-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol?
The IUPAC name of 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol (CID 79058445) is 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol?
The canonical SMILES for 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol is C=CCCCC(O)C1(N2CCCC2)CCCC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol?
The InChIKey is MQYVSPDWWYPBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-4-9-14(17)15(10-5-6-11-15)16-12-7-8-13-16/h2,14,17H,1,3-13H2.
What are the key properties of 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol?
1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol has a molecular weight of 237.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol is sourced from PubChem (CID 79058445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).