1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol

C13H23NO — CID 70485481

IUPAC1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CC1=CCCCC1)CN1CCCC1
InChIInChI=1S/C13H23NO/c15-13(11-14-8-4-5-9-14)10-12-6-2-1-3-7-12/h6,13,15H,1-5,7-11H2
InChIKeyYZTVOMSDTOCDNT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol

1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 70485481) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID70485481
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CC1=CCCCC1)CN1CCCC1
InChIInChI=1S/C13H23NO/c15-13(11-14-8-4-5-9-14)10-12-6-2-1-3-7-12/h6,13,15H,1-5,7-11H2
InChIKeyYZTVOMSDTOCDNT-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol (CID 70485481) is 1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol is OC(CC1=CCCCC1)CN1CCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is YZTVOMSDTOCDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(11-14-8-4-5-9-14)10-12-6-2-1-3-7-12/h6,13,15H,1-5,7-11H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol?
1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 209.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 70485481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).