3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol

C13H23NO — CID 106650884

IUPAC3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C2=CCCCCCC2)C1
InChIInChI=1S/C13H23NO/c1-14-10-9-13(15,11-14)12-7-5-3-2-4-6-8-12/h7,15H,2-6,8-11H2,1H3
InChIKeyZJWABMPIIHKYLQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds1

About 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol

3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol (PubChem CID 106650884) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol
PubChem CID106650884
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C2=CCCCCCC2)C1
InChIInChI=1S/C13H23NO/c1-14-10-9-13(15,11-14)12-7-5-3-2-4-6-8-12/h7,15H,2-6,8-11H2,1H3
InChIKeyZJWABMPIIHKYLQ-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

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CID 81886676
2-[(1R,6R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613769
4-(Cycloocten-1-yl)-1-methylpiperidin-4-ol
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4-(Cyclohexen-1-yl)-1-methylpiperidin-4-ol
CID 106650846
4-(Cyclohepten-1-yl)-1-methylpiperidin-4-ol
CID 106650847
4-(Cycloocten-1-yl)-1-ethylpiperidin-4-ol
CID 106650848
4-(Cyclohexen-1-yl)-1-ethylpiperidin-4-ol
CID 106650849
4-(Cyclohepten-1-yl)-1-ethylpiperidin-4-ol
CID 106650850
4-(Cycloocten-1-yl)-1-propylpiperidin-4-ol
CID 106650851
4-(Cyclohexen-1-yl)-1-propylpiperidin-4-ol
CID 106650852
3-(Cyclohexen-1-yl)-1-methylpyrrolidin-3-ol
CID 106650885

Frequently Asked Questions

What is the IUPAC name of 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol (CID 106650884) is 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(C2=CCCCCCC2)C1.
What is the InChIKey of 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol?
The InChIKey is ZJWABMPIIHKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-10-9-13(15,11-14)12-7-5-3-2-4-6-8-12/h7,15H,2-6,8-11H2,1H3.
What are the key properties of 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol?
3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloocten-1-yl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 106650884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).