cycloocten-1-yl(pyrrolidin-2-yl)methanol

C13H23NO — CID 106651721

IUPACcycloocten-1-yl(pyrrolidin-2-yl)methanol
SMILESOC(C1=CCCCCCC1)C1CCCN1
InChIInChI=1S/C13H23NO/c15-13(12-9-6-10-14-12)11-7-4-2-1-3-5-8-11/h7,12-15H,1-6,8-10H2
InChIKeyXUQDIENTPXFBEG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.38
Rot. Bonds2

About cycloocten-1-yl(pyrrolidin-2-yl)methanol

cycloocten-1-yl(pyrrolidin-2-yl)methanol (PubChem CID 106651721) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cycloocten-1-yl(pyrrolidin-2-yl)methanol.

Molecular Properties

Compound Namecycloocten-1-yl(pyrrolidin-2-yl)methanol
PubChem CID106651721
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecycloocten-1-yl(pyrrolidin-2-yl)methanol
SMILESOC(C1=CCCCCCC1)C1CCCN1
InChIInChI=1S/C13H23NO/c15-13(12-9-6-10-14-12)11-7-4-2-1-3-5-8-11/h7,12-15H,1-6,8-10H2
InChIKeyXUQDIENTPXFBEG-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.38
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

(E)-1-pyrrolidin-2-yloctadec-4-ene-1,3-diol
CID 58730213
(E)-1-pyrrolidin-2-ylhexadec-4-ene-1,3-diol
CID 60028750
1-Pyrrolidin-2-yloctadec-4-ene-1,3-diol
CID 72404488
1-Pyrrolidin-2-ylhexadec-4-ene-1,3-diol
CID 72626444
[5-[(4-Aminocyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol
CID 123158820
(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
CID 155010717
2-ethyl-5-(propan-2-ylamino)-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-ol
CID 177955420
[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol
CID 3037388
1-(9-Azabicyclo[4.2.1]non-2-en-2-yl)ethanol
CID 14408189
1-(Cyclohexen-1-yl)-2-(methylamino)ethanol
CID 84013564
(1S)-1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanol
CID 101613763
(1R)-1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanol
CID 101613764

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl(pyrrolidin-2-yl)methanol?
The IUPAC name of cycloocten-1-yl(pyrrolidin-2-yl)methanol (CID 106651721) is cycloocten-1-yl(pyrrolidin-2-yl)methanol.
What is the SMILES notation for cycloocten-1-yl(pyrrolidin-2-yl)methanol?
The canonical SMILES for cycloocten-1-yl(pyrrolidin-2-yl)methanol is OC(C1=CCCCCCC1)C1CCCN1.
What is the InChIKey of cycloocten-1-yl(pyrrolidin-2-yl)methanol?
The InChIKey is XUQDIENTPXFBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(12-9-6-10-14-12)11-7-4-2-1-3-5-8-11/h7,12-15H,1-6,8-10H2.
What are the key properties of cycloocten-1-yl(pyrrolidin-2-yl)methanol?
cycloocten-1-yl(pyrrolidin-2-yl)methanol has a molecular weight of 209.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl(pyrrolidin-2-yl)methanol is sourced from PubChem (CID 106651721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).