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

C13H23NO — CID 106651398

IUPAC3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(C2=CCCCCC2)CN1C
InChIInChI=1S/C13H23NO/c1-11-9-13(15,10-14(11)2)12-7-5-3-4-6-8-12/h7,11,15H,3-6,8-10H2,1-2H3
InChIKeyAVIOHKXLYGULNG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds1

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

3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 106651398) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol
PubChem CID106651398
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(C2=CCCCCC2)CN1C
InChIInChI=1S/C13H23NO/c1-11-9-13(15,10-14(11)2)12-7-5-3-4-6-8-12/h7,11,15H,3-6,8-10H2,1-2H3
InChIKeyAVIOHKXLYGULNG-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

1,1-Di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol
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
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-(Cyclohepten-1-yl)-1-methylpiperidin-4-ol
CID 106650847
4-(Cyclohepten-1-yl)-1-ethylpiperidin-4-ol
CID 106650850
4-(Cyclohexen-1-yl)-1-propan-2-ylpiperidin-4-ol
CID 106650854
4-(Cyclohepten-1-yl)-1-propan-2-ylpiperidin-4-ol
CID 106650855

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol (CID 106651398) is 3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol is CC1CC(O)(C2=CCCCCC2)CN1C.
What is the InChIKey of 3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is AVIOHKXLYGULNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-9-13(15,10-14(11)2)12-7-5-3-4-6-8-12/h7,11,15H,3-6,8-10H2,1-2H3.
What are the key properties of 3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol?
3-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-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-(cyclohepten-1-yl)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 106651398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).