(3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol

C13H23NO — CID 99832352

IUPAC(3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
SMILESCC1=CCC[C@H](C)[C@H]1CN1CC[C@@H](O)C1
InChIInChI=1S/C13H23NO/c1-10-4-3-5-11(2)13(10)9-14-7-6-12(15)8-14/h4,11-13,15H,3,5-9H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyFOLWJPWTGNESSN-XQQFMLRXSA-N
MW209.33 g/mol
LogP2.05
Rot. Bonds2

About (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 99832352) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
PubChem CID99832352
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
SMILESCC1=CCC[C@H](C)[C@H]1CN1CC[C@@H](O)C1
InChIInChI=1S/C13H23NO/c1-10-4-3-5-11(2)13(10)9-14-7-6-12(15)8-14/h4,11-13,15H,3,5-9H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyFOLWJPWTGNESSN-XQQFMLRXSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

3,7-Dimethyl-1-pyrrolidin-1-yloct-6-ene-2,3-diol
CID 13933181
N-Methyl-N-(2-hydroxyethyl)-N-[3-(4-methyl-3-cyclohexenyl)-butyl]amine
CID 21427790
(3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol
CID 67560750
1-(4,5,6-Trimethylhept-3-enyl)pyrrolidin-3-ol
CID 123711237
1-[(2E,4Z)-3-(3,6-dimethylcyclohexa-1,5-dien-1-yl)undeca-2,4-dienyl]pyrrolidin-3-ol
CID 134379538
2-(1,3,3a,4,5,7a-Hexahydroisoindol-2-yl)ethanol
CID 163478460
1-[2-(6-Methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol
CID 175841516
(3R)-1-(2-cyclohexa-2,4-dien-1-ylethyl)pyrrolidin-3-ol
CID 175890314
1,1'-{[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]imino}di(2-propanol)
CID 2845909
(3R)-1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-ol
CID 86805747
[1-[(2,6-Dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 86805754
1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
CID 99832320

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol (CID 99832352) is (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol is CC1=CCC[C@H](C)[C@H]1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is FOLWJPWTGNESSN-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-4-3-5-11(2)13(10)9-14-7-6-12(15)8-14/h4,11-13,15H,3,5-9H2,1-2H3/t11-,12+,13-/m0/s1.
What are the key properties of (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 99832352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).