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

C13H23NO — CID 70484225

IUPAC3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESOCC(CC1=CCCCC1)N1CCCC1
InChIInChI=1S/C13H23NO/c15-11-13(14-8-4-5-9-14)10-12-6-2-1-3-7-12/h6,13,15H,1-5,7-11H2
InChIKeyYVVDLGCKVSBGRM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds4

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

3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 70484225) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID70484225
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESOCC(CC1=CCCCC1)N1CCCC1
InChIInChI=1S/C13H23NO/c15-11-13(14-8-4-5-9-14)10-12-6-2-1-3-7-12/h6,13,15H,1-5,7-11H2
InChIKeyYVVDLGCKVSBGRM-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 3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol (CID 70484225) is 3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol is OCC(CC1=CCCCC1)N1CCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is YVVDLGCKVSBGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-11-13(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 3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol?
3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-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 3-(cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 70484225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).