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

C12H21NO — CID 106650909

IUPAC3-(cycloocten-1-yl)pyrrolidin-3-ol
SMILESOC1(C2=CCCCCCC2)CCNC1
InChIInChI=1S/C12H21NO/c14-12(8-9-13-10-12)11-6-4-2-1-3-5-7-11/h6,13-14H,1-5,7-10H2
InChIKeyITJSTEQAHXHYMA-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds1

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

3-(cycloocten-1-yl)pyrrolidin-3-ol (PubChem CID 106650909) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(cycloocten-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(cycloocten-1-yl)pyrrolidin-3-ol
PubChem CID106650909
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(cycloocten-1-yl)pyrrolidin-3-ol
SMILESOC1(C2=CCCCCCC2)CCNC1
InChIInChI=1S/C12H21NO/c14-12(8-9-13-10-12)11-6-4-2-1-3-5-7-11/h6,13-14H,1-5,7-10H2
InChIKeyITJSTEQAHXHYMA-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
3-(2-Methylprop-1-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79190226
2-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613765
4-(Cycloocten-1-yl)piperidin-4-ol
CID 106650881
4-(Cyclohexen-1-yl)piperidin-4-ol
CID 106650882
4-(Cyclohepten-1-yl)piperidin-4-ol
CID 106650883
3-(Cycloocten-1-yl)-1-methylpyrrolidin-3-ol
CID 106650884
3-(Cyclohexen-1-yl)-1-methylpyrrolidin-3-ol
CID 106650885
3-(Cyclohepten-1-yl)-1-methylpyrrolidin-3-ol
CID 106650886
3-(Cycloocten-1-yl)-1-cyclopropylpyrrolidin-3-ol
CID 106650887
3-(Cycloocten-1-yl)piperidin-3-ol
CID 106650906

Frequently Asked Questions

What is the IUPAC name of 3-(cycloocten-1-yl)pyrrolidin-3-ol?
The IUPAC name of 3-(cycloocten-1-yl)pyrrolidin-3-ol (CID 106650909) is 3-(cycloocten-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(cycloocten-1-yl)pyrrolidin-3-ol?
The canonical SMILES for 3-(cycloocten-1-yl)pyrrolidin-3-ol is OC1(C2=CCCCCCC2)CCNC1.
What is the InChIKey of 3-(cycloocten-1-yl)pyrrolidin-3-ol?
The InChIKey is ITJSTEQAHXHYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(8-9-13-10-12)11-6-4-2-1-3-5-7-11/h6,13-14H,1-5,7-10H2.
What are the key properties of 3-(cycloocten-1-yl)pyrrolidin-3-ol?
3-(cycloocten-1-yl)pyrrolidin-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloocten-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 106650909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).