3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol

C14H25NO — CID 106651396

IUPAC3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(C2=CCCCCCC2)CN1C
InChIInChI=1S/C14H25NO/c1-12-10-14(16,11-15(12)2)13-8-6-4-3-5-7-9-13/h8,12,16H,3-7,9-11H2,1-2H3
InChIKeyNSXNTBBYTIOBQS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds1

About 3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol

3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 106651396) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol
PubChem CID106651396
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(C2=CCCCCCC2)CN1C
InChIInChI=1S/C14H25NO/c1-12-10-14(16,11-15(12)2)13-8-6-4-3-5-7-9-13/h8,12,16H,3-7,9-11H2,1-2H3
InChIKeyNSXNTBBYTIOBQS-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
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 19608986
(1R)-1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485613
1-(cyclopenten-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141463
1,5-Dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol
CID 81468127
7-(2-methylprop-1-enyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81611936
1-(2-methylprop-1-enyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886676
1-(2-Methylprop-1-enyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855626
2-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613765
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
CID 106650845
4-(Cycloocten-1-yl)-1-ethylpiperidin-4-ol
CID 106650848
4-(Cycloocten-1-yl)-1-propan-2-ylpiperidin-4-ol
CID 106650853

Frequently Asked Questions

What is the IUPAC name of 3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol (CID 106651396) is 3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol is CC1CC(O)(C2=CCCCCCC2)CN1C.
What is the InChIKey of 3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is NSXNTBBYTIOBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-10-14(16,11-15(12)2)13-8-6-4-3-5-7-9-13/h8,12,16H,3-7,9-11H2,1-2H3.
What are the key properties of 3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol?
3-(cycloocten-1-yl)-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.72, 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)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 106651396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).