(1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+)

C6H12NORb — CID 59763316

IUPAC(1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+)
SMILESCN1CC[CH-]C1CO.[Rb+]
InChIInChI=1S/C6H12NO.Rb/c1-7-4-2-3-6(7)5-8;/h3,6,8H,2,4-5H2,1H3;/q-1;+1
InChIKeyPXNJBEAPCMPMRT-UHFFFAOYSA-N
MW199.64 g/mol
LogP-3.11
Rot. Bonds1

About (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+)

(1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+) (PubChem CID 59763316) has the molecular formula C6H12NORb and a molecular weight of 199.64 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+).

Molecular Properties

Compound Name(1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+)
PubChem CID59763316
Molecular FormulaC6H12NORb
Molecular Weight199.64 g/mol
Exact Mass199.00
IUPAC Name(1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+)
SMILESCN1CC[CH-]C1CO.[Rb+]
InChIInChI=1S/C6H12NO.Rb/c1-7-4-2-3-6(7)5-8;/h3,6,8H,2,4-5H2,1H3;/q-1;+1
InChIKeyPXNJBEAPCMPMRT-UHFFFAOYSA-N
XLogP-3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 5-3.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
[1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol
CID 18616423
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(2S,4R)-4-hydroxy-1-methyl-2-pyrrolidinemethanol
CID 10749213
(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 15594658
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
1-[(2S)-1-methylpyrrolidin-2-yl]ethan-1-ol
CID 45087390
((2S)-1-(2-methoxyethyl)pyrrolidin-2-yl)methanol
CID 59701827
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+)?
The IUPAC name of (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+) (CID 59763316) is (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+).
What is the SMILES notation for (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+)?
The canonical SMILES for (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+) is CN1CC[CH-]C1CO.[Rb+].
What is the InChIKey of (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+)?
The InChIKey is PXNJBEAPCMPMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO.Rb/c1-7-4-2-3-6(7)5-8;/h3,6,8H,2,4-5H2,1H3;/q-1;+1.
What are the key properties of (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+)?
(1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+) has a molecular weight of 199.64 g/mol, XLogP of -3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-id-2-yl)methanol;rubidium(1+) is sourced from PubChem (CID 59763316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).