[(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol

C13H21NO — CID 141293911

IUPAC[(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol
SMILESCC1C=CC=CC1(C)N1CCC[C@@H]1CO
InChIInChI=1S/C13H21NO/c1-11-6-3-4-8-13(11,2)14-9-5-7-12(14)10-15/h3-4,6,8,11-12,15H,5,7,9-10H2,1-2H3/t11?,12-,13?/m1/s1
InChIKeyMSUFPXAVANGBLV-OTTFEQOBSA-N
MW207.32 g/mol
LogP1.96
Rot. Bonds2

About [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol

[(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol (PubChem CID 141293911) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol
PubChem CID141293911
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol
SMILESCC1C=CC=CC1(C)N1CCC[C@@H]1CO
InChIInChI=1S/C13H21NO/c1-11-6-3-4-8-13(11,2)14-9-5-7-12(14)10-15/h3-4,6,8,11-12,15H,5,7,9-10H2,1-2H3/t11?,12-,13?/m1/s1
InChIKeyMSUFPXAVANGBLV-OTTFEQOBSA-N
XLogP1.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cambridge id 5414386
CID 3717985
[(2S)-1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]pyrrolidin-2-yl]methanol
CID 15358966
[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
[(1R,5S)-2-methyl-2-azabicyclo[3.2.0]hept-6-en-1-yl]methanol
CID 126678630
[(2S)-1-(cyclohepta-1,3,6-trien-1-ylmethyl)pyrrolidin-2-yl]methanol;ethane
CID 142268123
(2S)-1-(cyclohexa-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 143093350
[(1R,2S,5S)-3-methyl-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol
CID 155233381
[1-(Cyclohexa-1,3-dien-1-ylmethyl)pyrrolidin-2-yl]methanol
CID 170423351
[1-propan-2-yl-4-[(E)-prop-1-enyl]pyrrolidin-2-yl]methanol
CID 172349929
[6-[2-(Hydroxymethyl)pyrrolidin-1-yl]cyclohexa-2,4-dien-1-ylidene]methanone
CID 173314371
(1-Cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol
CID 173351198
[(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol
CID 174295842

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol (CID 141293911) is [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol is CC1C=CC=CC1(C)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol?
The InChIKey is MSUFPXAVANGBLV-OTTFEQOBSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-6-3-4-8-13(11,2)14-9-5-7-12(14)10-15/h3-4,6,8,11-12,15H,5,7,9-10H2,1-2H3/t11?,12-,13?/m1/s1.
What are the key properties of [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol?
[(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol has a molecular weight of 207.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 141293911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).