(3R)-1-methanidyl-3-methoxypyrrolidine

C6H12NO- — CID 58679816

IUPAC(3R)-1-methanidyl-3-methoxypyrrolidine
SMILES[CH2-]N1CC[C@@H](OC)C1
InChIInChI=1S/C6H12NO/c1-7-4-3-6(5-7)8-2/h6H,1,3-5H2,2H3/q-1/t6-/m1/s1
InChIKeyKBSKIYLCZPQXCC-ZCFIWIBFSA-N
MW114.17 g/mol
LogP0.50
Rot. Bonds1

About (3R)-1-methanidyl-3-methoxypyrrolidine

(3R)-1-methanidyl-3-methoxypyrrolidine (PubChem CID 58679816) has the molecular formula C6H12NO- and a molecular weight of 114.17 g/mol. Its IUPAC name is (3R)-1-methanidyl-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3R)-1-methanidyl-3-methoxypyrrolidine
PubChem CID58679816
Molecular FormulaC6H12NO-
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name(3R)-1-methanidyl-3-methoxypyrrolidine
SMILES[CH2-]N1CC[C@@H](OC)C1
InChIInChI=1S/C6H12NO/c1-7-4-3-6(5-7)8-2/h6H,1,3-5H2,2H3/q-1/t6-/m1/s1
InChIKeyKBSKIYLCZPQXCC-ZCFIWIBFSA-N
XLogP0.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium;1-methanidyl-4-methoxypiperidine;trifluoroborane
CID 175536814
1-fluoro-3-methoxypyrrolidine
CID 123891077
1-cyclohexyl-3-methoxypyrrolidine
CID 154019623
methanol;3-methoxy-1-methylpyrrolidine
CID 164878451
(3S)-3-methoxy-1-(oxetan-3-yl)pyrrolidine
CID 118553663
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506
1-fluoro-4-methoxypiperidine
CID 154266449
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methanidyl-3-methoxypyrrolidine?
The IUPAC name of (3R)-1-methanidyl-3-methoxypyrrolidine (CID 58679816) is (3R)-1-methanidyl-3-methoxypyrrolidine.
What is the SMILES notation for (3R)-1-methanidyl-3-methoxypyrrolidine?
The canonical SMILES for (3R)-1-methanidyl-3-methoxypyrrolidine is [CH2-]N1CC[C@@H](OC)C1.
What is the InChIKey of (3R)-1-methanidyl-3-methoxypyrrolidine?
The InChIKey is KBSKIYLCZPQXCC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12NO/c1-7-4-3-6(5-7)8-2/h6H,1,3-5H2,2H3/q-1/t6-/m1/s1.
What are the key properties of (3R)-1-methanidyl-3-methoxypyrrolidine?
(3R)-1-methanidyl-3-methoxypyrrolidine has a molecular weight of 114.17 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methanidyl-3-methoxypyrrolidine is sourced from PubChem (CID 58679816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).